3-Amino-2-bromo-benzoic acid methyl ester
- CAS No.
- 106896-48-4
- Chemical Name:
- 3-Amino-2-bromo-benzoic acid methyl ester
- Synonyms
- Methyl 3-aMino-2-broMobenzoate;Methyl 3-aMino-2-broMobenzoate 95%;3-Amino-2-bromo-benzoic acid methyl ester;Benzoic acid, 3-amino-2-bromo-, methyl ester
- CBNumber:
- CB7324121
- Molecular Formula:
- C8H8BrNO2
- Molecular Weight:
- 230.06
- MDL Number:
- MFCD03844437
- MOL File:
- 106896-48-4.mol
- MSDS File:
- SDS
| Boiling point | 314.1±22.0 °C(Predicted) |
|---|---|
| Density | 1.583 g/mL at 25 °C |
| refractive index | n20/D1.601 |
| Flash point | >110℃ |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | 1.39±0.10(Predicted) |
| form | liquid |
| color | Clear, bright orange/amber |
| InChI | 1S/C8H8BrNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3 |
| InChIKey | NIXWZYZFLFEHMB-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cccc(N)c1Br |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS06 |
|---|---|
| Signal word | Danger |
| Hazard statements | H301-H315-H319-H335 |
| Precautionary statements | P301+P310+P330-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | Ⅲ |
| HS Code | 2922498590 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
3-Amino-2-bromo-benzoic acid methyl ester price More Price(56)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 737275 | Methyl 3-amino-2-bromobenzoate 95% | 106896-48-4 | 500mg | $109 | 2023-01-07 | Buy |
| Biosynth | GEA89648 | methyl 3-amino-2-bromobenzoate | 106896-48-4 | 10g | $472 | 2026-06-04 | Buy |
| Biosynth | GEA89648 | methyl 3-amino-2-bromobenzoate | 106896-48-4 | 100g | $3540 | 2026-06-04 | Buy |
| Apolloscientific | OR301136 | Methyl 3-amino-2-bromobenzoate ≥95% | 106896-48-4 | 1g | $25 | 2026-06-04 | Buy |
| Activate Scientific | AS42701 | Methyl 3-amino-2-bromobenzoate 97% | 106896-48-4 | 1g | $63 | 2026-06-04 | Buy |
3-Amino-2-bromo-benzoic acid methyl ester Chemical Properties, Uses, Production
Uses
Methyl 3-Amino-2-bromobenzoate is used in preparation of Carbazole-based compounds and its application as IDO inhibitor.
Synthesis
5337-09-7
106896-48-4
Methyl 2-bromo-3-nitrobenzoate (12.9 g, 49.5 mmol) was used as feedstock and prepared according to the method described by Webber ES et al. (Patent Application No. WO 01/16136 A2). The feedstock was refluxed with SnCl2 (42 g, 223 mmol) in a mixed solution of methanol (225 mL, 0.2 M) and H2O (5.3 g, 243 mmol) for 2 hours. After completion of the reaction, it was cooled to room temperature and diatomaceous earth (20 g) and dichloromethane (1 L) were added, followed by the slow addition of 3 N aqueous sodium hydroxide solution (150 mL) under vigorous stirring. The reaction mixture was filtered and the organic phase was washed with saturated aqueous sodium chloride solution. The organic layer was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to remove all volatiles to afford the intermediate methyl 3-amino-2-bromobenzoate (11.4 g) in 98% yield.1H-NMR (d6-DMSO) δ: 7.12 (dd, 1H, J = 8.1, 7.5 Hz), 6.93 (dd, 1H, J = 8.1, 1.6 Hz), 6.80 ( dd, 1H, J = 7.4, 1.6 Hz), 5.57 (s, 2H), 3.81 (s, 3H).
References
[1] Patent: WO2004/63198, 2004, A1. Location in patent: Page 77
[2] Tetrahedron, 2010, vol. 66, # 29, p. 5402 - 5406
[3] Tetrahedron, 2000, vol. 56, # 2, p. 165 - 173
[4] Journal of Organic Chemistry, 1988, vol. 53, # 6, p. 1170 - 1176
[5] Patent: EP950657, 1999, A2
3-Amino-2-bromo-benzoic acid methyl ester Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
3-Amino-2-bromo-benzoic acid methyl ester Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
| Shanghai Raise Chemical Technology Co.,Ltd | +86-021-50935922 | China | 7854 | 55 | |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| ShangHai KenEn Chemical Technology Co., Ltd. | 13120367189;18621755571 | mychess007@163.com | China | 1994 | 55 |
| Shanghai Xingui Biotechnology Co., Ltd. | 15121041756 | xingui2022@126.com | China | 9954 | 58 |
| Sigma-Aldrich | 021-61415566 800-8193336 | orderCN@merckgroup.com | China | 51389 | 80 |
| Changzhou Anxuan Chemical, Co., Ltd. | 13912302692 | sales@anxuanchem.com | China | 4824 | 58 |
View Latest Price from 3-Amino-2-bromo-benzoic acid methyl ester manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2019-12-23 | 3-AMINO-2-BROMO-BENZOIC ACID METHYL ESTER
106896-48-4
|
$1.00 | 1KG | 99% | 100KG | Career Henan Chemical Co |
-
- 3-AMINO-2-BROMO-BENZOIC ACID METHYL ESTER
106896-48-4
- $1.00
- 99%
- Career Henan Chemical Co
