2-Amino-3-bromo-5-methylbenzoic acid

Base Information

• Chemical Name: 2-Amino-3-bromo-5-methylbenzoic acid
• CAS No.: 13091-43-5
• Molecular Formula: C8H8BrNO2
• Molecular Weight: 230.061
• Hs Code.: 29224999
• European Community (EC) Number: 625-729-7
• DSSTox Substance ID: DTXSID50379016
• Nikkaji Number: J1.998.150I
• Wikidata: Q82168664
• Mol file: 13091-43-5.mol

Synonyms:2-Amino-3-bromo-5-methylbenzoic acid;13091-43-5;2-amino-3-bromo-5-methyl-benzoic Acid;Benzoic acid, 2-amino-3-bromo-5-methyl-;MFCD00051705;3-Bromo-5-methylanthranilic acid;6-Amino-5-bromo-m-toluic acid;SCHEMBL698960;DTXSID50379016;AMY31473;STR03467;2-Amino-3-bromo-5-methylbenzoicacid;AKOS002664933;CS-W012966;Benzoic acid,2-amino-3-bromo-5-methyl-;SY049488;FT-0611048;2-Amino-3-bromo-5-methylbenzoic acid, 97%;EN300-80722;A806166;W-205332;Z111833898

Chemical Property of 2-Amino-3-bromo-5-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Melting Point: 204-208 °C(lit.)
• Refractive Index: 1.651
• Boiling Point: 350.2 °C at 760 mmHg
• PKA: 4.62±0.10(Predicted)
• Flash Point: 165.6 °C
• PSA: 63.32000
• Density: 1.682g/cm³
• LogP: 2.61910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.97384
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Amino-3-bromo-5-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xn,Xi
• Statements: 22-43
• Safety Statements: 37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)Br)N)C(=O)O

Technology Process of 2-Amino-3-bromo-5-methylbenzoic acid

There total 7 articles about 2-Amino-3-bromo-5-methylbenzoic acid 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: 97.0%

2-Amino-5-methylbenzoic acid (2941-78-8) → 2-amino-3-bromo-5-methylbenzoic acid (13091-43-5)

Guidance literature:

With bromine; In acetic acid; at 20 ℃; for 3h;

DOI:10.1016/S0040-4020(00)00803-6

Reference yield: 65.0%

7-bromo-5-methyl-2,3-dihydro-1H-indole-2,3-dione (108938-16-5) → 2-amino-3-bromo-5-methylbenzoic acid (13091-43-5)

Guidance literature:

With dihydrogen peroxide;

Reference yield:

methyl 2-amino-3-bromo-5-methyl benzoate (206551-32-8) → 2-amino-3-bromo-5-methylbenzoic acid (13091-43-5)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmcl.2010.12.026

upstream raw materials:

2-Amino-5-methylbenzoic acid

7-bromo-5-methyl-2,3-dihydro-1H-indole-2,3-dione

2-bromo-4-methyl-α-isonitrosoacetanilide

methyl 2-amino-3-bromo-5-methyl benzoate

Downstream raw materials:

3-bromo-5-methyl-benzoic acid

8-bromo-6-methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione

3-bromo-5-methylbenzonitrile

2,3-dibromo-5-methylbenzoic acid

Refernces

• 1、 -. "QUINAZOLINE DERIVATIVES USED TO TREAT HIV". Paragraph 0293. . Retrieved 2016/07/27.
• 2、 Clews, John,Curtis, Anthony D.M.,Malkin, Hugh. "The synthesis of C2-symmetric and axially chiral compounds for recognition and catalysis". . p. 8735 - 8746. Retrieved 2007/10/03.