Benzoic acid,4-amino-3-bromo-5-iodo-, ethyl ester
- CAS Number:437707-51-2
- Molecular Formula:C9H9 Br I N O2
- Molecular Weight:369.984
- Mol File:437707-51-2.mol
Synonyms:ETHYL 4-AMINO-3-BROMO-5-IODOBENZOATE;4-AMINO-3-BROMO-5-IODO-BENZOIC ACID ETHYL ESTER
Physicochemical Properties
- Melting Point:N/A
- Boiling Point:N/A
- Density:N/A
- Solubility:N/A
- Flash Point:N/A
- Vapor Density:N/A
- Refractive Index:N/A
- Sensitive:N/A
- Storage Temp.:N/A
- Appearance/Colour:N/A
Benzoic acid,4-amino-3-bromo-5-iodo-, ethyl ester 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 |
|---|---|---|---|---|
| ethyl 4-amino-3-bromo-5-iodobenzoate | ethyl 4-amino-3-bromo-5-iodobenzoate | 437707-51-2 | 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.
Benzoic acid,4-amino-3-bromo-5-iodo-, ethyl ester Relevant articles
All total 2 Articles be found
All total 2 Articles be foundSynthesis and self-association properties of diethynylbenzene macrocycles
Tobe, Yoshito,Utsumi, Naoto,Kawabata, Kazuya,Naemura, Koichiro
, p. 9325 - 9328 (2007/10/03)
We synthesized diethynylbenzene macrocycles (DBMs), cyclic oligomers of diethynylbenzene, having functional groups in the periphery of the macrocyclic framework and investigated their self-association properties in solution resulting from π-π stacking interaction. The tetrakis-DBM having hexadecyl ester groups showed dimerization behavior not only in chloroform-d, but also in o-dichlorobenzene-4.
m-Diethynylbenzene macrocycles: Syntheses and self-association behavior in solution
Tobe, Yoshito,Utsumi, Naoto,Kawabata, Kazuya,Nagano, Atsushi,Adachi, Kiyomi,Araki, Shunji,Sonoda, Motohiro,Hirose, Keiji,Naemura, Koichiro
, p. 5350 - 5364 (2007/10/03)
m-Diethynylbenzene macrocycles (DBMs), buta-1,3-diyne-bridged [4n]metacyclophanes, have been synthesized and their self-association behaviors in solution were investigated, Cyclic tetramers, hexamers, and octamers of DBMs having exo-annular octyl, hexadecyl, and 3,6,9-trioxadecyl ester groups were prepared by intermolecular oxidative coupling of dimer units or intramolecular cyclization of the corresponding open-chain oligomers. The aggregation properties were investigated by two methods, the 1H NMR spectra and the vapor pressure osmometry (VPO). Although some discrepancies were observed between the association constants obtained from the two methods, the qualitative view was consistent with each other. The analysis of self-aggregation by VPO revealed unique aggregation behavior of DBMs in acetone and toluene, which was not elucidated by the NMR method. Namely, the association constants for infinite association are several times larger than the dimerization constant, suggesting that the aggregation is enhanced by the formation of dimers (a nucleation mechanism). In polar solvents, DBMs aggregate more strongly than in chloroform due to the solvophobic interactions between the macrocyclic framework and the solvents. Moreover, DBMs self-associate in aromatic solvents such as toluene and o-xylene more readily than in chloroform. In particular, the hexameric DBM having a large macrocyclic cavity exhibits extremely large association constants in aromatic solvents. By comparing the aggregation properties of DBMs with the corresponding acyclic oligomers, the effect of the macrocyclic structure on the aggregation propensity was clarified. Finally, it turned out that DBMs tend to aggregate more readily than the corresponding phenylacetylene macrocycles, acetylene-bridged [2n]metacyclophanes, owing to the withdrawal of the electron density from the aromatic rings by the butadiyne linkages which facilitates π-π stacking interactions.
Benzoic acid,4-amino-3-bromo-5-iodo-, ethyl ester Synthetic route And Reaction conditions
- 94-09-7
p-aminoethylbenzoate
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
| Conditions | Yield |
|---|---|
Multi-step reaction with 2 steps 1: 99 percent / N-bromosuccinimide / CHCl3 / 4 h / 5 - 10 °C 2: 94 percent / ICl / acetic acid; H2O / 10 h / 80 °C | |
Multi-step reaction with 2 steps 1: NBS 2: ICl |
- 7149-03-3
ethyl 3-bromo-4-aminobenzoate
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
| Conditions | Yield |
|---|---|
| 94% | |
WithIodine monochloride; |
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
- 186772-44-1
ethyl 3-bromo-5-iodobenzoate
| Conditions | Yield |
|---|---|
| 88% | |
Yield given;
deamination; |
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
- 437707-54-5
ethyl 3-bromo-5-[(triisopropylsilyl)ethynyl]benzoate
| Conditions | Yield |
|---|---|
Multi-step reaction with 2 steps 1: 88 percent / NaNO2; H2SO4 / benzene; ethanol / 1.5 h / Heating 2: 99 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 36 h |
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
| Conditions | Yield |
|---|---|
Multi-step reaction with 4 steps 1: 88 percent / NaNO2; H2SO4 / benzene; ethanol / 1.5 h / Heating 2: 99 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 36 h 3: 92 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 16 h 4: 97 percent / KOH / tetrahydrofuran; H2O / 71 h / 20 °C | |
Multi-step reaction with 4 steps 1: deamination 2: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 3: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 4: LiOH / tetrahydrofuran; H2O / 18 h / Ambient temperature |
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
- 186772-46-3
ethyl 3-[(trimethylsilyl)ethynyl]-5-[(triisopropylsilyl)ethynyl]benzoate
| Conditions | Yield |
|---|---|
Multi-step reaction with 3 steps 1: 88 percent / NaNO2; H2SO4 / benzene; ethanol / 1.5 h / Heating 2: 99 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 36 h 3: 92 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 16 h | |
Multi-step reaction with 3 steps 1: deamination 2: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 3: Pd(dba)2, CuI, PPh3, Et3N / 70 °C |
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
- 437706-86-0
hexadecyl 3-ethynyl-5-[(triisopropylsilyl)ethynyl]benzoate
| Conditions | Yield |
|---|---|
Multi-step reaction with 5 steps 1: 88 percent / NaNO2; H2SO4 / benzene; ethanol / 1.5 h / Heating 2: 99 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 36 h 3: 92 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 16 h 4: 97 percent / KOH / tetrahydrofuran; H2O / 71 h / 20 °C 5: 91 percent / DMAP; DCC / 1,2-dichloro-ethane / 4 h / 20 °C | |
Multi-step reaction with 6 steps 1: deamination 2: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 3: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 4: LiOH / tetrahydrofuran; H2O / 18 h / Ambient temperature 5: SOCl2 6: Et3N / diethyl ether; benzene / 40 °C |
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
- 186772-50-9
C54H74O4
| Conditions | Yield |
|---|---|
Multi-step reaction with 7 steps 1: 88 percent / NaNO2; H2SO4 / benzene; ethanol / 1.5 h / Heating 2: 99 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 36 h 3: 92 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 16 h 4: 97 percent / KOH / tetrahydrofuran; H2O / 71 h / 20 °C 5: 91 percent / DMAP; DCC / 1,2-dichloro-ethane / 4 h / 20 °C 6: 96 percent / Cu(OAc)2; pyridine / 4 h / 20 °C 7: 22 percent / TBAF; water / tetrahydrofuran / 4 h / 20 °C Withpyridine;
dmap;
tris(dibenzylideneacetone)dipalladium(0) chloroform complex;
potassium hydroxide;
copper diacetate;
sulfuric acid;
tetrabutyl ammonium fluoride;
water;
triethylamine;
dicyclohexyl-carbodiimide;
triphenylphosphine;
sodium nitrite;copper(l) iodide;Intetrahydrofuran;
ethanol;
water;
1,2-dichloro-ethane;
benzene; | |
Multi-step reaction with 8 steps 1: deamination 2: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 3: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 4: LiOH / tetrahydrofuran; H2O / 18 h / Ambient temperature 5: SOCl2 6: Et3N / diethyl ether; benzene / 40 °C 7: Cu(AcO)2, pyridine / 50 °C 8: Bu4NF / tetrahydrofuran / Ambient temperature |
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
- 437706-92-8
C72H114O4Si2
| Conditions | Yield |
|---|---|
Multi-step reaction with 6 steps 1: 88 percent / NaNO2; H2SO4 / benzene; ethanol / 1.5 h / Heating 2: 99 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 36 h 3: 92 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 16 h 4: 97 percent / KOH / tetrahydrofuran; H2O / 71 h / 20 °C 5: 91 percent / DMAP; DCC / 1,2-dichloro-ethane / 4 h / 20 °C 6: 96 percent / Cu(OAc)2; pyridine / 4 h / 20 °C | |
Multi-step reaction with 7 steps 1: deamination 2: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 3: Pd(dba)2, CuI, PPh3, Et3N / 70 °C 4: LiOH / tetrahydrofuran; H2O / 18 h / Ambient temperature 5: SOCl2 6: Et3N / diethyl ether; benzene / 40 °C 7: Cu(AcO)2, pyridine / 50 °C |
- 437707-51-2
ethyl 4-amino-3-bromo-5-iodobenzoate
- 437706-83-7
octyl 3-ethynyl-5-[(triisopropylsilyl)ethynyl]benzoate
| Conditions | Yield |
|---|---|
Multi-step reaction with 5 steps 1: 88 percent / NaNO2; H2SO4 / benzene; ethanol / 1.5 h / Heating 2: 99 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 36 h 3: 92 percent / Pd2(dba)3*CHCl3; triphenylphosphine; triethylamine / CuI / 16 h 4: 97 percent / KOH / tetrahydrofuran; H2O / 71 h / 20 °C 5: 93 percent / 4-(dimethylamino)pyridine; N,N-dicyclohexylcarbodiimide / 1,2-dichloro-ethane / 3.5 h / 20 °C |
Benzoic acid,4-amino-3-bromo-5-iodo-, ethyl ester Raw materials
Benzoic acid,4-amino-3-bromo-5-iodo-, ethyl ester Target Products
Business Type:
- Lab/Research institutionsTrading CompanyManufacturers
Certificate:
- Product LicenseEnterprise AuthenticationISOGMPFDAHALAL
Country :
China (Mainland)(11)
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