Methyl 2-amino-4-chlorobenzoate

Base Information

• Chemical Name: Methyl 2-amino-4-chlorobenzoate
• CAS No.: 5900-58-3
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• Hs Code.: 29224999
• European Community (EC) Number: 227-593-0
• NSC Number: 400871
• UNII: BWN3H69QRA
• DSSTox Substance ID: DTXSID90207743
• Nikkaji Number: J81.116E
• Wikidata: Q27463522
• ChEMBL ID: CHEMBL1234477
• Mol file: 5900-58-3.mol

Synonyms:Methyl 2-amino-4-chlorobenzoate;5900-58-3;Methyl 4-chloroanthranilate;MFCD00017568;Benzoic acid, 2-amino-4-chloro-, methyl ester;2-amino-4-chlorobenzoic acid methyl ester;2-amino-4-chloro-benzoic acid methyl ester;CHEMBL1234477;EINECS 227-593-0;4-chloroanthranilic acid methyl ester;NSC-400871;3ms9;BWN3H69QRA;methyl 4-chloro-anthranilate;SCHEMBL771687;methyl 2-amino4-chlorobenzoate;methyl-2-amino-4-chlorobenzoate;DTXSID90207743;2-Methoxycarbonyl-5-chloroaniline;Methyl 2-amino-4-chlorobenzoate #;STR02665;BDBM50459087;NSC400871;AKOS000120830;CS-W008083;NSC 400871;AC-14812;SY006269;BB 0218450;FT-0618167;EN300-16129;A20120;Q27463522;Z53833897;Methyl 2-amino-4-chlorobenzoate, >=98.0% (HPLC/NT);MS9

Chemical Property of Methyl 2-amino-4-chlorobenzoate

Chemical Property:

• Vapor Pressure: 0.00305mmHg at 25°C
• Melting Point: 66-71 °C
• Refractive Index: 1.58
• Boiling Point: 284.016 °C at 760 mmHg
• PKA: 1.33±0.10(Predicted)
• Flash Point: 125.568 °C
• PSA: 52.32000
• Density: 1.311 g/cm³
• LogP: 2.29000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl2-Amino-4-chlorobenzoate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-amino-4-chlorobenzoate

There total 20 articles about Methyl 2-amino-4-chlorobenzoate 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%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-Amino-4-chlorobenzoic acid (89-77-0) → 2-amino-4-chloro-benzoic acid methyl ester (5900-58-3)

Guidance literature:

In diethyl ether; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2007.11.045

Reference yield: 97.0%

→ 2-amino-4-chloro-benzoic acid methyl ester (5900-58-3)

Guidance literature:

Reference yield: 94.0%

methanol (67-56-1) + 2-Amino-4-chlorobenzoic acid (89-77-0) → 2-amino-4-chloro-benzoic acid methyl ester (5900-58-3)

Guidance literature:

With sulfuric acid; for 12h; Heating;

DOI:10.1021/jm960214k

upstream raw materials:

methanol

2-Amino-4-chlorobenzoic acid

2-acetylamino-4-chlorobenzoic acid

6-chloroisatin

Downstream raw materials:

2-amino-4-chlorobenzamide

2-amino-4-chlorobenzohydrazide

4-Chlor-N-sulfamoyl-anthranilsaeure-methylester

8-chloro-3-phenyl-2,3-dihydro-oxazolo[2,3-b]quinazolin-5-one