Benzene,1-isocyano-4-methoxy-
- CAS Number:10349-38-9
- Molecular Formula:C8H7NO
- Molecular Weight:133.15
- Mol File:10349-38-9.mol
Synonyms:Phenylisocyanide, p-methoxy- (6CI,7CI,8CI);1-Isocyano-4-methoxybenzene;4-Methoxy-1-isocyanobenzene;4-Methoxyphenyl isocyanide;4-Methoxyphenylisonitrile;Anisyl isonitrile;p-Anisyl isocyanide;p-Anisyl isonitrile;p-Methoxyphenyl isocyanide;p-Methoxyphenyl isonitrile;
Physicochemical Properties
- Melting Point:29-33 °C(lit.)
- Boiling Point:113 °C
- Density:N/A
- Solubility:N/A
- Flash Point:224 °F
- Vapor Density:N/A
- Refractive Index:N/A
- Sensitive:N/A
- Storage Temp.:?20°C
- Appearance/Colour:N/A
Benzene,1-isocyano-4-methoxy- Safety information and MSDS
·Hazard identification:
| Pictogram(s) | no data available |
|---|---|
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
·Composition/information on ingredients:
| Chemical name | Common names and synonyms | CAS number | EC number | Concentration |
|---|---|---|---|---|
| 1-isocyano-4-methoxybenzene | 1-isocyano-4-methoxybenzene | 10349-38-9 | none | 100% |
·First-aid measures:
General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
·Fire-fighting measures:
Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.
·Accidental release measures:
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.
Benzene,1-isocyano-4-methoxy- Relevant articles
All total 54 Articles be found
All total 54 Articles be foundSynthesis of isocyanides by reacting primary amines with difluorocarbene
Si, Yi-Xin,Zhu, Peng-Fei,Zhang, Song-Lin
supporting information, p. 9086 - 9090 (2020/11/30)
A general, convenient, and friendly route for preparing a versatile building block of isocyanides from primary amines is developed. Difluorocarbene, generated in situ from decarboxylation of chlorodifluoroacetate, reacts efficiently with primary amines to produce isocyanides. Various primary amines are well tolerated, including aryl, heteroaryl, benzyl, and alkyl amines, as well as amine residues in amino acids and peptides. Late-stage functionalization of biologically active amines is demonstrated, showing its practical capacity in drug design and peptide modification.
Method for preparing isonitrile compound
-
Paragraph 0032-0037; 0080-0087, (2021/01/30)
The invention discloses a method for preparing an isonitrile compound, and belongs to the field of organic synthesis. According to the method, sodium chlorodifluoroacetate or potassium bromodifluoroacetate is used as a difluoromethyl source and is condensed with primary amine under the action of alkali to obtain an isocyanide target product, so that isocyanide is generated in situ on the primary amine. The reaction raw materials, alkali and solvent used in the method are simple and easy to obtain, wide in source and convenient to operate, do not need special storage and use conditions, the method has the advantages of safety, low cost, high yield, simple process, environmental friendliness and the like, and has important application value in the fields of medicine, protein and polypeptidepreparation, pesticides, high polymer materials, dyes and the like.
Design, synthesis and anticancer evaluation of 3-methyl-1H-indazole derivatives as novel selective bromodomain-containing protein 4 inhibitors
Dong, Ru,Zhang, Cheng,Wang, Chao,Zhou, Xin,Li, Wen,Zhang, Jin-Yang,Wang, Min,Xu, Yong,Sun, Li-Ping
, (2022/01/11)
Bromodomain-containing Protein 4 (BRD4), an ‘epigenetic reader’, regulates chromatin structure and gene expression via recognizing and binding acetylated lysine in histones. BRD4 has become a therapeutic target for cancers because it promotes the expression of the tumor genes, such as c-Myc, NF-κB, and Bcl-2. In this study, a new series of 3-methyl-1H-indazole derivatives were designed via virtual screening and structure-based optimization. All compounds were synthesized and evaluated for their inhibitory activities to BRD4-BD1 and their antiproliferative effects in cancer cell lines. Among them, several compounds (such as 9d, 9u and 9w) exhibited strong BRD4-BD1 affinities and inhibition activities, and potently suppressed MV4;11 cancer cell line proliferation. Among them, compound 9d showed excellent selectivity for BRD4 and effectively suppressed c-Myc, the downstream protein of BRD4. This study provided new lead compounds for further biological evaluation on BRD4.
Bis-Selenoureas for Anion Binding: A 1H NMR and Theoretical Study
Caltagirone, Claudia,Ciancaleoni, Gianluca,Lippolis, Vito,Mocci, Rita,Picci, Giacomo,Zielińska-B?ajet, Mariola
, p. 1389 - 1395 (2020/08/05)
The anion binding ability of a family of bis-selenoureas L1-L3 obtained by the reaction of 1,3-bis(aminomethyl)-benzene and phenylisoselenocyanate, p-methoxyphenylisoselenocyanate and naphtylisoselenocyanate, for L1, L2, and L3, respectively, has been tested and compared to that of previously described bis-urea analogues. Results suggest that the introduction of selenium leads to an increase in the acidity of the urea NH hydrogen atoms, and therefore to a stronger affinity (more than three-fold higher) towards anion species, in particular dihydrogen phosphate, in DMSO-d6. Theoretical calculations allowed for the optimization of the adducts receptors corroborating the experimental results.
Access to Unsymmetrically Substituted Diaryl Gold N-Acyclic Carbene (NAC) and N-Heterocyclic Carbene (NHC) Complexes via the Isonitrile Route
Vethacke, Vanessa,Claus, Vanessa,Dietl, Martin C.,Ehjeij, Daniel,Meister, Arne,Huber, Jonas F.,Paschai Darian, Leon K.,Rudolph, Matthias,Rominger, Frank,Hashmi, A. Stephen K.
supporting information, p. 536 - 554 (2021/10/20)
A variety of unsymmetric diaryl gold N-acyclic carbene (NAC) complexes was synthesized via the isonitrile route by three different methods: (a) solvent free in a melt, (b) mechanochemically and (c) in THF at room temperature. The latter method can also be used to synthesize unsaturated gold NHC complexes. These methods overall offer access to a broad array of new complexes and remove one of the previous limitations of the isonitrile route to NAC and NHC complexes of gold, namely the inability to react with the less nucleophilic aromatic amines. The new complexes also proved to be successful as pre-catalysts in the gold-catalyzed phenol synthesis. (Figure presented.).
Benzene,1-isocyano-4-methoxy- Synthetic route And Reaction conditions
- 104-94-9
4-methoxy-aniline
- 10349-38-9
p-methoxyphenylisonitrile
| Conditions | Yield |
|---|---|
Multi-step reaction with 2 steps 1: 95 percent / 12 h / Heating 2: 91 percent / Ph3P, Et3N / CCl4 |
- 104-94-9
4-methoxy-aniline
- 10349-38-9
p-methoxyphenylisonitrile
| Conditions | Yield |
|---|---|
Multi-step reaction with 2 steps 1: 85 percent / toluene 2: 70 percent / N-methylmorpholine, diphosgene / CH2Cl2 / 1 h / -30 °C |
- 10349-38-9
p-methoxyphenylisonitrile
| Conditions | Yield |
|---|---|
- 5470-34-8
4-methoxyformanilide
- 10349-38-9
p-methoxyphenylisonitrile
| Conditions | Yield |
|---|---|
- 5470-34-8
4-methoxyformanilide
- 10349-38-9
p-methoxyphenylisonitrile
| Conditions | Yield |
|---|---|
| 97% | |
| 95% | |
| 91% | |
| 90% | |
| 90% | |
| 90% | |
Withtriethylamine;
trichlorophosphate;Indichloromethane;at 0 - 20 ℃;
for 1.5h;
Schlenk technique;
Inert atmosphere; | 90% |
| 85% | |
| 78% | |
With1,3,5-trichloro-2,4,6-triazine;
triethylamine;Indichloromethane;at 50 ℃;
for 0.05h;
microwave irradiation; | 75% |
4-methoxyformanilide;Withdiisopropylamine;
trichlorophosphate;Indichloromethane;at 0 - 20 ℃;
for 3.5h; Withsodium carbonate;Indichloromethane;
water; | 71% |
| 70% | |
| 70% | |
| 67% | |
| 64% | |
| 62% | |
| 56% | |
Multistep reaction;
(i) KOtBu, tBuOH, (ii) POCl3; | |
Withpyridine;
trichlorophosphate;Inchloroform; | |
Withbis(trichloromethyl) carbonate;
triethylamine;Indichloromethane;for 3.5h;
Molecular sieve;
Inert atmosphere;
Reflux; | |
Withtrichlorophosphate; | |
WithN-ethyl-N,N-diisopropylamine;
trichlorophosphate;Intoluene;at 20 ℃;
for 0.1h;
Flow reactor;
Sonication; | 99 %Chromat. |
With1,4-diaza-bicyclo[2.2.2]octane;
p-toluenesulfonyl chloride;Inacetonitrile;at 0 - 28 ℃;
for 4h;
Inert atmosphere; | |
Withtriethylamine;
ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate;Indichloromethane;at -40 ℃;
for 1h;
Reagent/catalyst;
Solvent;
Temperature;
Inert atmosphere; | |
| 0.764 g | |
Withbis(trichloromethyl) carbonate;Schlenk technique;
Inert atmosphere; | |
Withtriethylamine;
trichlorophosphate;Intetrahydrofuran;at 0 ℃;
for 2h;
Inert atmosphere;
Schlenk technique; | 4.788 g |
Withtrichlorophosphate; | |
| 837.9 mg | |
Withtriethylamine;
trichlorophosphate;Intetrahydrofuran;at 0 ℃;
for 1.58333h;
Inert atmosphere;
Schlenk technique; | 15.6 g |
| 1.2 g | |
| 892 mg | |
- 19215-52-2
1,4?di(4?methoxyphenyl)?1,4?diaza?2,3?methyl?1,3?butadiene
- 50-00-0,30525-89-4,61233-19-0
formaldehyd
- 10349-38-9
p-methoxyphenylisonitrile
- 51-66-1
4-methoxyacetanilide
| Conditions | Yield |
|---|---|
Withoxygen;
5,15,10,20-tetraphenylporphyrin;Further Variations:;
Solvents;
Kinetics;
Irradiation; | |
| Conditions | Yield |
|---|---|
- 10349-38-9
p-methoxyphenylisonitrile
- 123-38-6
propionaldehyde
| Conditions | Yield |
|---|---|
- 10349-38-9
p-methoxyphenylisonitrile
| Conditions | Yield |
|---|---|
|
80 % Turnov. |
- 104-94-9
4-methoxy-aniline
- 10349-38-9
p-methoxyphenylisonitrile
| Conditions | Yield |
|---|---|
Multi-step reaction with 2 steps 1.1: 79 percent / 4-tolylsulfonic acid / 72 h / Heating 2.1: DIPA; POCl3 / CH2Cl2 / 1.5 h / 0 °C 2.2: 64 percent / sodium carbonate / H2O; CH2Cl2 / 1.5 h / 20 °C | |
Multi-step reaction with 2 steps 1: 100 percent / tetrahydrofuran / 20 °C 2: 78 percent / Et3N; phosphorous oxychloride / tetrahydrofuran / 0 °C | |
Multi-step reaction with 2 steps 1: TsOH 2: POCl3, Py / CHCl3 | |
Multi-step reaction with 2 steps 1: triethylamine / 24 h / Reflux 2: triethylamine; trichlorophosphate / dichloromethane / -2 - 0 °C / Inert atmosphere | |
Multi-step reaction with 2 steps 1.1: toluene / Reflux 2.1: triethylamine; trichlorophosphate / dichloromethane / 0 °C 2.2: 1 h / 20 - 30 °C | |
Multi-step reaction with 2 steps 1: 2.5 h / 80 °C 2: 1,4-diaza-bicyclo[2.2.2]octane; p-toluenesulfonyl chloride / acetonitrile / 4 h / 0 - 28 °C / Inert atmosphere | |
Multi-step reaction with 2 steps 1: 15 h / 60 °C 2: triethylamine; trichlorophosphate / dichloromethane / 0 - 20 °C | |
Multi-step reaction with 2 steps 1: toluene; water / Inert atmosphere; Reflux 2: trichlorophosphate; triethylamine / water; chloroform / 2 h / 0 - 20 °C / Inert atmosphere Withtriethylamine;
trichlorophosphate;Inchloroform;
water;
toluene; | |
Multi-step reaction with 2 steps 1: toluene / Reflux 2: trichlorophosphate; triethylamine / tetrahydrofuran / 0 °C | |
Multi-step reaction with 2 steps 1: Schlenk technique; Inert atmosphere 2: bis(trichloromethyl) carbonate / Schlenk technique; Inert atmosphere | |
Multi-step reaction with 2 steps 1: sodium hexamethyldisilazane / tetrahydrofuran / 0 - 20 °C 2: diisopropylamine; trichlorophosphate / toluene / 0 °C | |
Multi-step reaction with 2 steps 1: toluene / Inert atmosphere; Reflux 2: trichlorophosphate; triethylamine / tetrahydrofuran / 0 °C / Inert atmosphere | |
Multi-step reaction with 2 steps 1: 5 h / 110 °C 2: Burgess Reagent / dichloromethane / 2 h / Reflux WithBurgess Reagent;Indichloromethane; | |
Multi-step reaction with 2 steps 1: tetrahydrofuran / 3 h / 20 °C / Schlenk technique; Inert atmosphere 2: triethylamine; trichlorophosphate / dichloromethane / 1.5 h / 0 - 20 °C / Schlenk technique; Inert atmosphere | |
Multi-step reaction with 2 steps 1: toluene / Reflux; Inert atmosphere 2: triethylamine; trichlorophosphate / chloroform / 2 h / 0 - 20 °C / Inert atmosphere Withtriethylamine;
trichlorophosphate;Inchloroform;
toluene; | |
Multi-step reaction with 2 steps 1.1: acetic anhydride / 2 h / 55 °C 1.2: 2 h / 0 - 25 °C 2.1: triethylamine; trichlorophosphate / tetrahydrofuran / 2 h / 0 °C | |
Multi-step reaction with 2 steps 1: sodium formate / 4 h / 20 °C / Inert atmosphere; Schlenk technique 2: triethylamine; trichlorophosphate / tetrahydrofuran / 1.5 h / 0 °C / Inert atmosphere | |
Multi-step reaction with 2 steps 1: acetic anhydride / tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere 2: triethylamine; trichlorophosphate / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere | |
Multi-step reaction with 2 steps 1: toluene / 24 h / 70 °C / Inert atmosphere 2: trichlorophosphate; triethylamine / dichloromethane / 24 h / 20 °C / Inert atmosphere | |
Multi-step reaction with 2 steps 1: sodium formate / 20 °C 2: trichlorophosphate; triethylamine / tetrahydrofuran / 1.58 h / -5 °C / Inert atmosphere | |
Multi-step reaction with 2 steps 1: toluene / Dean-Stark; Reflux 2: trichlorophosphate; diisopropylamine / dichloromethane / 3.5 h / 0 - 20 °C |
Benzene,1-isocyano-4-methoxy- Raw materials
- 67-66-3
chloroform
- 104-94-9
4-methoxy-aniline
- 5470-34-8
4-methoxyformanilide
- 105-64-6
diisopropyl peroxydicarbonate
- 19215-52-2
1,4?di(4?methoxyphenyl)?1,4?diaza?2,3?methyl?1,3?butadiene
Benzene,1-isocyano-4-methoxy- Target Products
Business Type:
- Lab/Research institutionsTrading CompanyManufacturers
Certificate:
- Product LicenseEnterprise AuthenticationISOGMPFDAHALAL
Country :
China (Mainland)(10)
Germany(3)
United Kingdom(1)
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- Total:12 Page 1 of 1 1
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