Methyl 2-amino-5-chloro-3-methylbenzoate

Base Information

• Chemical Name: Methyl 2-amino-5-chloro-3-methylbenzoate
• CAS No.: 79101-83-0
• Molecular Formula: C9H10ClNO2
• Molecular Weight: 199.637
• Hs Code.: 2922499990
• European Community (EC) Number: 842-279-9
• Mol file: 79101-83-0.mol

Synonyms:methyl 2-amino-5-chloro-3-methylbenzoate;79101-83-0;Benzoic acid, 2-amino-5-chloro-3-methyl-, methyl ester;methyl2-amino-5-chloro-3-methylbenzoate;methyl 5-chloro-2-amino-3-methyl-benzoate;methyl 2-amino-5-chloro-3-methylbenzenecarboxylate;SCHEMBL1056378;BOYQWVQNPIZDPU-UHFFFAOYSA-N;MFCD11501868;AKOS010054446;HA-0823;CS-0187465;D83139;EN300-378322;2-amino-3-methyl-5-chlorobenzoic acid methyl ester;Z594218700

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

Chemical Property:

• Melting Point: 33-35 °C
• Boiling Point: 316.2±37.0 °C(Predicted)
• PKA: 1.61±0.10(Predicted)
• PSA: 52.32000
• Density: 1.264±0.06 g/cm3(Predicted)
• LogP: 2.59840
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

99%, ^*data from raw suppliers

Methyl2-amino-5-chloro-3-methylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 15 articles about Methyl 2-amino-5-chloro-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: 96.0%

methanol (67-56-1) + 2-amino-5-chloro-3-methylbenzoic acid (20776-67-4) → 2-amino-3-methyl-5-chlorobenzoic acid methyl ester (79101-83-0)

Guidance literature:

With sulfuric acid; for 16h; Reflux;

Reference yield: 88.4%

2-amino-5-chloro-3-methylbenzoic acid (20776-67-4) + dimethyl sulfate (77-78-1) → 2-amino-3-methyl-5-chlorobenzoic acid methyl ester (79101-83-0)

Guidance literature:

2-amino-5-chloro-3-methylbenzoic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

dimethyl sulfate; In N,N-dimethyl-formamide; at 110 ℃; for 7h;

Reference yield: 84.8%

methyl 2-amino-3-methylbenzoate (22223-49-0) → 2-amino-3-methyl-5-chlorobenzoic acid methyl ester (79101-83-0)

Guidance literature:

methyl 2-amino-3-methylbenzoate; With sulfuryl dichloride; In acetonitrile; at 50 - 55 ℃; for 3.25h;

With sodium hydroxide; In water; acetonitrile; at 5 ℃; for 0.166667h; pH=6; Product distribution / selectivity;

upstream raw materials:

methanol

5-chloro-7-methyl-1H-indole-2,3-dione

2-amino-5-chloro-3-methylbenzoic acid

dimethyl sulfate

Downstream raw materials:

C₂₀H₁₅Cl₂F₃N₄O₄

5-chloro-1H-indazole-7 -carbaldehyde

rynaxypyr

3-methyl-2-amino-5-chlorophenylbenzamide