Benzonitrile,2-bromo-4-methyl-
- CAS Number:42872-73-1
- Molecular Formula:C8H6BrN
- Molecular Weight:196.046
- Mol File:42872-73-1.mol
Synonyms:p-Tolunitrile,2-bromo- (6CI);2-Bromo-p-tolunitrile;
Physicochemical Properties
- Melting Point:51-53 °C
- Boiling Point:292.9 °C at 760 mmHg
- Density:1.51 g/cm3
- Solubility:N/A
- Flash Point:130.9 °C
- Vapor Density:N/A
- Refractive Index:1.59
- Sensitive:N/A
- Storage Temp.:N/A
- Appearance/Colour:N/A
Xn, 
XiBenzonitrile,2-bromo-4-methyl- Safety information and MSDS
·Hazard identification:
| Pictogram(s) |  |
|---|---|
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
·Composition/information on ingredients:
| Chemical name | Common names and synonyms | CAS number | EC number | Concentration |
|---|---|---|---|---|
| 2-Bromo-4-Methylbenzonitrile | 2-Bromo-4-Methylbenzonitrile | 42872-73-1 | 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.
Benzonitrile,2-bromo-4-methyl- Relevant articles
All total 12 Articles be found
All total 12 Articles be foundSelective synthesis of benzo[4,5]imidazo[2,1-a]isoquinolines via copper-catalyzed tandem annulation of alkynylbenzonitriles with 2-Iodoanilines
Liu, Xiaodong,Deng, Guobo,Liang, Yun
, p. 2844 - 2847 (2018/06/18)
An efficient copper-catalyzed cascade cyclization reaction for selectively synthesizing a variety of benzo[4,5]imidazo[2,1-a]isoquinoline derivatives has been developed. The reaction features the formation of three different C–N bonds in sequence. In the
Rapid synthesis and zebrafish evaluation of a phenanthridine-based small molecule library
Donaldson, Lauren R.,Wallace, Stephen,Haigh, David,Patton, E. Elizabeth,Hulme, Alison N.
supporting information; experimental part, p. 2233 - 2239 (2011/04/27)
A Heck cyclisation approach is described for the rapid synthesis of a library of natural product-like small molecules, based on the phenanthridine core. The synthesis of a range of substituted benzylamine building blocks and their incorporation into the library is reported, together with a highly selective cis-dihydroxylation protocol that enables access to the target compounds in an efficient manner. Biological evaluation of the library using zebrafish phenotyping has led to the discovery of compound 20c, a novel inhibitor of early-stage zebrafish embryo development.
Palladium-Catalyzed Ring-Forming Aminoalkenylation of Alkenes with Aldehydes Initiated by Intramolecular Aminopalladation
Hu, Yue,Xie, Yinjun,Shen, Zhiqiang,Huang, Hanmin
supporting information, p. 2473 - 2477 (2017/02/23)
A palladium-catalyzed aminopalladation reaction followed by nucleophilic addition with aldehydes and dehydration is described. This direct and operationally simple procedure provides a rapid and reliable approach to a wide range of functionalized tetrahydroisoquinolines with high selectivity. Mechanistic studies disclosed that the nucleophilic addition, performed via a highly ordered transition-state, is the turnover-limiting step in which the inherent β-hydride elimination of the key Csp3?Pd species was controlled by the confined conformation and the nucleophilicity of the Csp3?Pd bond was enhanced by the strong electron-donating effect of the nitrogen atom.
Palladium-catalyzed highly selective ortho-halogenation (I, Br, Cl) of arylnitriles via sp2 C-H bond activation using cyano as directing group
Du, Bingnan,Jiang, Xiaoqing,Sun, Peipei
, p. 2786 - 2791 (2013/04/24)
A palladium-catalyzed ortho-halogenation (I, Br, Cl) of arylnitrile is described. The optimal reaction conditions were identified after examining various factors such as catalyst, additive, solvent, and reaction temperature. Using cyano as the directing group, the halogenation reaction gave good to excellent yields. The method is compatible to the arylnitriles with either electron-withdrawing or electron-donating groups. The reaction is available to the substrate in at least gram scale. The present method was successfully applied to the synthesis of the precursors of paucifloral F and isopaucifloral F.
A radical cyclization cascade of 2-alkynylbenzonitriles with sodium arylsulfinates
Zhou, Bang,Chen, Wenqi,Yang, Yuzhong,Yang, Yuan,Deng, Guobo,Liang, Yun
, p. 7959 - 7963 (2018/11/21)
A convenient radical cyclization cascade procedure for the construction of sulfonated indenones from 2-alkynylbenzonitriles and sodium arylsulfinates has been explored under mild reaction conditions. The present methodology offers a low-cost and operationally straightforward approach to synthesizing various sulfonated indenones in moderate to good yields by simple use of cheap sodium persulfate as an oxidant and environmentally benign water as a co-solvent.
Benzonitrile,2-bromo-4-methyl- Synthetic route And Reaction conditions
- 104-85-8
para-methylbenzonitrile
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
WithN-Bromosuccinimide;
palladium diacetate;
toluene-4-sulfonic acid;In1,2-dichloro-ethane;at 70 ℃;
for 12h;
Sealed tube; | 92% |
WithN-Bromosuccinimide;
palladium diacetate;
toluene-4-sulfonic acid;In1,2-dichloro-ethane;at 75 ℃;
for 12h;
Schlenk technique;
Inert atmosphere; | 61% |
- 2-bromo-p-toluidine
- 583-68-6
2-bromo-p-toluidine
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
WithNa3[CuCN4];
water;Diazotization; | |
durch Austausch von NH2 gegen CN; | |
Yield given. Multistep reaction; | |
Withhydrogenchloride;
copper(l) cyanide;
sodium nitrite;Yield given. Multistep reaction;
1.) H2O, 0-5 degC, 2h; 2.) water, toluene, 0-5 degC 30 min, then r.t., 2h; |
- 26830-96-6
5-methyl-2-cyanoaniline
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
WithNa3[CuCN4];
water;unter verschiedenen Bedingungen; |
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
Withsteam; |
- 26830-95-5
4-methyl-2-nitrobenzonitrile
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
Multi-step reaction with 2 steps 1: methanol / Hydrogenation Withmethanol; |
- 131002-03-4
4-methyl-2- bromobenzamide
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
| 98% | |
| 98% | |
| 98% | |
| 98% | |
Withwater;
at 0 ℃;
for 0.166667h; | 84% |
Withthionyl chloride;
for 3h;
Reflux;
Inert atmosphere; | 73% |
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
- 824-54-4
2-bromo-4-methylbenzaldehyde
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
Multi-step reaction with 2 steps 1: hydroxylamine hydrochloride; sodium acetate / methanol; water / 4 h / 20 °C 2: potassium carbonate; acetic anhydride / dimethyl sulfoxide / 50 °C | |
Multi-step reaction with 2 steps 1: hydroxylamine hydrochloride; sodium acetate / water; methanol / 4 h / 20 °C 2: acetic anhydride; potassium carbonate / dimethyl sulfoxide / 50 °C |
- 7697-27-0
2-bromo-4-methylbenzoic acid
- 42872-73-1
4-methyl-2-bromobenzonitrile
| Conditions | Yield |
|---|---|
Multi-step reaction with 3 steps 1: thionyl chloride / N,N-dimethyl-formamide / toluene / 3 h / 50 °C 2: ammonia / water; toluene 3: phosphorus pentoxide / chloroform / 12 h / Reflux |
Benzonitrile,2-bromo-4-methyl- Raw materials
- 583-68-6
2-bromo-p-toluidine
- 26830-96-6
5-methyl-2-cyanoaniline
- 26830-95-5
4-methyl-2-nitrobenzonitrile
- 131002-03-4
4-methyl-2- bromobenzamide
- 7697-27-0
2-bromo-4-methylbenzoic acid
Benzonitrile,2-bromo-4-methyl- Target Products
Business Type:
- Lab/Research institutionsTrading CompanyManufacturers
Certificate:
- Product LicenseEnterprise AuthenticationISOGMPFDAHALAL
Country :
China (Mainland)(50)
India(2)
United Kingdom(1)
United States(1)
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