Methyl 2-amino-5-chloro-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-amino-5-chloro-3-nitrobenzoate
• CAS No.: 84228-49-9
• Molecular Formula: C8H7ClN2O4
• Molecular Weight: 230.608
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID20346831
• Wikidata: Q82120136
• Mol file: 84228-49-9.mol

Synonyms:Methyl 2-amino-5-chloro-3-nitrobenzoate;84228-49-9;Methyl2-amino-5-chloro-3-nitrobenzoate;SCHEMBL505205;2-Amino-5-chloro-3-nitro-benzoic acid methyl ester;Benzoic acid, 2-amino-5-chloro-3-nitro-, methyl ester;DTXSID20346831;methyl 5-chloro-3-nitroanthranilate;MFCD02068568;AB10650;AS-33103;Methyl 2-amino-5-chloro-3-nitrobenzoate #;CS-0187466;FT-0723949;A856439

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

Chemical Property:

• PSA: 98.14000
• LogP: 2.72140
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.0094344
• Heavy Atom Count: 15
• Complexity: 268

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC(=C1)Cl)[N+](=O)[O-])N

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

There total 9 articles about Methyl 2-amino-5-chloro-3-nitrobenzoate 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: 84.11%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-amino-5-chloro-3-nitrobenzoic acid (6324-51-2) → methyl 2-amino-5-chloro-3-nitrobenzoate (84228-49-9)

Guidance literature:

In methanol; diethyl ether;

Reference yield: 61.0%

methanol (67-56-1) + 2-amino-5-chloro-3-nitrobenzoic acid (6324-51-2) → methyl 2-amino-5-chloro-3-nitrobenzoate (84228-49-9)

Guidance literature:

With thionyl chloride; at 0 - 80 ℃; for 12h;

Reference yield: 30.0%

methanol (67-56-1) + 5-chloro-7-nitroindoline-2,3-dione → methyl 2-amino-5-chloro-3-nitrobenzoate (84228-49-9)

Guidance literature:

5-chloro-7-nitroindoline-2,3-dione; With dihydrogen peroxide; sodium hydroxide; In water; at 20 ℃; for 5h;

methanol; With toluene-4-sulfonic acid; for 36h; Reflux;

DOI:10.1016/j.ejmech.2018.01.018

upstream raw materials:

methanol

2-amino-5-chloro-3-nitrobenzoic acid

5-chloroanthranilic acid

5-chloro-2-(2,2,2-trifluoroacetyl)aminobenzoic acid

Downstream raw materials:

2,3-diamino-5-chlorobenzamide

2-amino-5-chloro-3-nitrobenzamide

2-amino-5-chloro-3-nitrobenzoic acid

methyl 2,3-diamino-5-chlorobenzoate