Methyl 4-amino-2-chlorobenzoate

Base Information

• Chemical Name: Methyl 4-amino-2-chlorobenzoate
• CAS No.: 46004-37-9
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• Hs Code.: 2922499990
• European Community (EC) Number: 676-303-2
• DSSTox Substance ID: DTXSID40474261
• Nikkaji Number: J89.514H
• Wikidata: Q72486792
• Mol file: 46004-37-9.mol

Synonyms:methyl 4-amino-2-chlorobenzoate;46004-37-9;4-Amino-2-chlorobenzoic acid methyl ester;METHYL 2-CHLORO-4-AMINOBENZOATE;Methyl4-amino-2-chlorobenzoate;Benzoic acid, 4-amino-2-chloro-, methyl ester;MFCD03840484;4-AMINO-2-CHLORO-BENZOIC ACID METHYL ESTER;2-Chloro-4-aminobenzoic acid methyl ester;methyl 4-amino-2-chloro-benzoate;AN-584/43393256;SCHEMBL145288;m-chloro-p-methoxycarbonylaniline;DTXSID40474261;DSHBGNPOIBSIOQ-UHFFFAOYSA-N;methyl-2-chloro-4-amino-benzoate;BCP26885;CL8558;AKOS000100239;AC-3873;AM61571;CS-W018864;GS-3456;PD144687;SY006268;2-Chloro-4-amino benzoic acid methyl ester;A7201;BB 0217339;FT-0600376;M3114;EN300-80546;Z802847294

Chemical Property of Methyl 4-amino-2-chlorobenzoate

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 112-114 °C
• Refractive Index: 1.581
• Boiling Point: 334.207 °C at 760 mmHg
• PKA: 1.41±0.10(Predicted)
• Flash Point: 155.923 °C
• PSA: 52.32000
• Density: 1.311 g/cm³
• LogP: 2.29000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Chloroform
• XLogP3: 2.7
• 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:

97% ^*data from raw suppliers

Methyl 4-Amino-2-chlorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)N)Cl
• Uses: Methyl 4-Amino-2-chlorobenzoate is used as a reagent to synthesize selective LXR agonists that increase HDL levels and reverse cholesterol transport in mice.

Technology Process of Methyl 4-amino-2-chlorobenzoate

There total 8 articles about Methyl 4-amino-2-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: 100.0%

methyl 2-chloro-4-nitrobenzoate (13324-11-3) → methyl 4-amino-2-chlorobenzoate (46004-37-9)

Guidance literature:

methyl 2-chloro-4-nitrobenzoate; With ethanol; tin(ll) chloride; at 0 - 90 ℃;

With sodium hydroxide; In water; ethyl acetate;

Reference yield: 99.0%

→ methyl 4-amino-2-chlorobenzoate (46004-37-9)

Guidance literature:

Reference yield: 98.0%

methanol (67-56-1) + 4-amino-2-chlorobenzoic acid (2457-76-3) → methyl 4-amino-2-chlorobenzoate (46004-37-9)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 32h;

upstream raw materials:

methanol

4-Acetylamino-2-chlorobenzoic acid

methyl 2-chloro-4-nitrobenzoate

4-amino-2-chlorobenzoic acid

Downstream raw materials:

4-amino-2-chloro-benzoic acid-(2-dimethylamino-ethyl ester)

2-chloro-4-(3-benzoylthioureido)benzoic acid methyl ester

methyl 4-(N,N-dimethylsulfamoyl)amino-2-chlorobenzoate

Methyl 4-[[(2-Phenylmethyl)benzoyl]amino]-2-chlorobenzoate