Methyl 2-amino-5-bromo-3-methylbenzoate

Base Information

• Chemical Name: Methyl 2-amino-5-bromo-3-methylbenzoate
• CAS No.: 206548-14-3
• Molecular Formula: C9H10BrNO2
• Molecular Weight: 244.088
• Hs Code.: 2922499990
• European Community (EC) Number: 690-753-7
• DSSTox Substance ID: DTXSID90376943
• Nikkaji Number: J1.626.002I
• Wikidata: Q72486742
• Mol file: 206548-14-3.mol

Synonyms:methyl 2-amino-5-bromo-3-methylbenzoate;206548-14-3;Methyl 2-amino-5-bromo-3-methylbenzenecarboxylate;2-amino-5-bromo-3-methyl-benzoic acid methyl ester;Benzoic acid, 2-amino-5-bromo-3-methyl-, methyl ester;MFCD06797379;2-amino-3-methyl-5-bromobenzoic acid methyl ester;SCHEMBL759268;DTXSID90376943;NVJKMGDNYCDLGR-UHFFFAOYSA-N;AKOS002677402;SB35218;methyl2-amino-5-bromo-3-methylbenzoate;AC-29545;SY035916;methyl 2-amino-5-bromo-3-methyl-benzoate;CS-0035707;FT-0680044;EN300-2008384;2-amino-3-methyl 5-bromobenzoic acid methyl ester;A879514;11Y-0801;J-521926

Chemical Property of Methyl 2-amino-5-bromo-3-methylbenzoate

Chemical Property:

• Melting Point: 56-58
• Boiling Point: 307.3±37.0 °C(Predicted)
• PKA: 1.61±0.10(Predicted)
• PSA: 52.32000
• Density: 1.506
• LogP: 2.70750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 242.98949
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-amino-5-bromo-3-methylbenzenecarboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)C(=O)OC)Br

Technology Process of Methyl 2-amino-5-bromo-3-methylbenzoate

There total 8 articles about Methyl 2-amino-5-bromo-3-methylbenzoate 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: 100.0%

2-amino-5-bromo-3-methylbenzoic acid (206548-13-2) + methyl iodide (74-88-4) → 2-Amino-5-bromo-3-methyl-benzoic acid methyl ester (206548-14-3)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 97.7%

methyl 2-amino-3-methylbenzoate (22223-49-0) → 2-Amino-5-bromo-3-methyl-benzoic acid methyl ester (206548-14-3)

Guidance literature:

With hydrogen bromide; dihydrogen peroxide; In water; at 30 - 70 ℃; for 3h;

Reference yield: 90.0%

methanol (67-56-1) + 2-amino-5-bromo-3-methylbenzoic acid (206548-13-2) → 2-Amino-5-bromo-3-methyl-benzoic acid methyl ester (206548-14-3)

Guidance literature:

With sulfuric acid; at 90 ℃; for 18h;

DOI:10.1039/d1md00195g

upstream raw materials:

methyl 2-amino-3-methylbenzoate

2-amino-5-bromo-3-methylbenzoic acid

methyl iodide

3-methylantranilic acid

Downstream raw materials:

5-bromo-2-(4-methoxy-benzenesulfonylamino)-3-methyl-benzoic acid methyl ester

3-Methyl-5-bromo-2-(4-fluoro-benzenesulfonylamino)-benzoic acid

C₁₁H₁₂BrNO₃