Methyl 3-amino-2-bromobenzoate

Base Information

• Chemical Name: Methyl 3-amino-2-bromobenzoate
• CAS No.: 106896-48-4
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• Hs Code.: 2922499990
• European Community (EC) Number: 685-677-6
• DSSTox Substance ID: DTXSID80544174
• Nikkaji Number: J1.232.264J
• Wikidata: Q82421199
• Mol file: 106896-48-4.mol

Synonyms:methyl 3-amino-2-bromobenzoate;106896-48-4;3-Amino-2-bromo-benzoic acid methyl ester;MFCD03844437;Benzoic acid, 3-amino-2-bromo-, methyl ester;Methyl3-amino-2-bromobenzoate;methyl 2-bromo-3-aminobenzoate;SCHEMBL5210612;DTXSID80544174;NIXWZYZFLFEHMB-UHFFFAOYSA-N;CL9216;AKOS015855271;CS-W006317;MB03033;Methyl 3-amino-2-bromobenzoate, 95%;3-Amino-2-bromobenzoic acid methyl ester;DS-12046;SY018995;EN300-179030;A857226;J-511531;Z1269159125

Chemical Property of Methyl 3-amino-2-bromobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.601
• Boiling Point: 314.133 °C at 760 mmHg
• Flash Point: 143.783 °C
• PSA: 52.32000
• Density: 1.578 g/cm³
• LogP: 2.39910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-amino-2-bromobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)N)Br
• Uses: Methyl 3-Amino-2-bromobenzoate is used in preparation of Carbazole-based compounds and its application as IDO inhibitor.

Technology Process of Methyl 3-amino-2-bromobenzoate

There total 9 articles about Methyl 3-amino-2-bromobenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

2-bromo-3-nitro-benzoic acid methyl ester (5337-09-7) → methyl 2-bromo-3-aminobenzoate (106896-48-4)

Guidance literature:

With tin(ll) chloride; In methanol; water; for 2h; Heating / reflux;

Reference yield: 95.0%

methanol (67-56-1) + 3-amino-2-bromobenzoic acid (168899-61-4) → methyl 2-bromo-3-aminobenzoate (106896-48-4)

Guidance literature:

With sulfuric acid; at 65 ℃; for 18h;

Reference yield:

sulfided platinum on carbon + 2-bromo-3-nitro-benzoic acid methyl ester (5337-09-7) → methyl 2-bromo-3-aminobenzoate (106896-48-4)

Guidance literature:

In ethyl acetate;

upstream raw materials:

2-bromo-3-nitro-benzoic acid methyl ester

2-bromo-3-nitro-benzoic acid

anhydro-2-hydroxymercuri-3-nitrobenzoic acid

2-Methyl-6-nitroaniline

Refernces

• 1、 -. "ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS". Page/Page column 79. . Retrieved 2015/01/06.
• 2、 Wang, Ping,Zheng, Guo-Jun,Wang, Ya-Ping,Wang, Xiang-Jing,Li, Yan,Xiang, Wen-Sheng. "A noveland practical synthesis of substituted 2-ethoxy benzimidazole: Candesartan cilexetil". experimental part. p. 5402 - 5406. Retrieved 2010/08/19.