Methyl 2-amino-4-bromobenzoate

Base Information

• Chemical Name: Methyl 2-amino-4-bromobenzoate
• CAS No.: 135484-83-2
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• Hs Code.: 2922499990
• European Community (EC) Number: 695-962-7
• DSSTox Substance ID: DTXSID90591412
• Nikkaji Number: J3.103.865K
• Wikidata: Q72486724
• Mol file: 135484-83-2.mol

Synonyms:Methyl 2-amino-4-bromobenzoate;135484-83-2;Methyl 4-bromoanthranilate;methyl 4-bromo-2-aminobenzoate;2-AMINO-4-BROMOBENZOIC ACID METHYL ESTER;4-BROMO-2-AMINO BENZOIC ACID METHYL ESTER;methyl-2-amino-4-bromobenzoate;MFCD07783014;2-Amino-4-bromo-benzoic acid methyl ester;BENZOIC ACID, 2-AMINO-4-BROMO-, METHYL ESTER;methyl2-amino-4-bromobenzoate;methyl 2-amino-4-bromo-benzoate;SCHEMBL148598;DTXSID90591412;BCP34272;BBL103655;STL557465;AKOS005258874;AC-3871;AM84009;CS-W004770;PS-5106;SY024501;DB-007646;M3125;EN300-225297;J-507833;Z607863798;4-Bromo-2-Amino Benzoic Acid Methyl Ester

Chemical Property of Methyl 2-amino-4-bromobenzoate

Chemical Property:

• Appearance/Colour: white to off white powder
• Vapor Pressure: 0.000342mmHg at 25°C
• Melting Point: 77-79 °C
• Refractive Index: 1.601
• Boiling Point: 319.3 °C at 760 mmHg
• PKA: 1.33±0.10(Predicted)
• Flash Point: 146.9 °C
• PSA: 52.32000
• Density: 1.578 g/cm³
• LogP: 2.39910
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: soluble in Methanol
• XLogP3: 3.4
• 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:

99% ^*data from raw suppliers

Methyl 2-Amino-4-bromobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)Br)N

Technology Process of Methyl 2-amino-4-bromobenzoate

There total 10 articles about Methyl 2-amino-4-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: 96.0%

methyl 4-bromo-2-nitrobenzoate (158580-57-5) → 2-amino-4-bromo-benzoic acid methyl ester (135484-83-2)

Guidance literature:

With tin(II) chloride dihdyrate; In ethyl acetate; at 30 ℃; for 2h; Ultrasonic irradiation;

Reference yield: 86.0%

methanol (67-56-1) + 2-amino-4-bromobenzoic acid (20776-50-5) → 2-amino-4-bromo-benzoic acid methyl ester (135484-83-2)

Guidance literature:

With sulfuric acid; for 24h; Reflux;

Reference yield:

→ 2-amino-4-bromo-benzoic acid methyl ester (135484-83-2) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

upstream raw materials:

methanol

2-amino-4-bromobenzoic acid

methyl 4-bromo-2-nitrobenzoate

iron

Downstream raw materials:

3-amino-[1,1'-biphenyl]-4-carboxylic acid

6-bromosaccharin

2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-bromo-benzoic acid methyl ester

5-bromo-2-cyano-N-(5-isopropyl-4-methyl-3H-thiazol-2-ylidene)-benzenesulfonamide

Refernces

• 1、 -. "INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". Page/Page column 24. . Retrieved 2021/10/22.
• 2、 -. "INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". Page/Page column 228-229. . Retrieved 2020/06/10.