Methyl 5-amino-2-chlorobenzoate

Base Information

• Chemical Name: Methyl 5-amino-2-chlorobenzoate
• CAS No.: 42122-75-8
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• Hs Code.: 2922499990
• European Community (EC) Number: 834-831-2
• DSSTox Substance ID: DTXSID40409457
• Nikkaji Number: J2.601.654A
• Wikidata: Q72489129
• Mol file: 42122-75-8.mol

Synonyms:methyl 5-amino-2-chlorobenzoate;42122-75-8;Methyl-5-amino-2-chlorobenzoate;Methyl 2-chloro-5-aminobenzoate;5-amino-2-chlorobenzoic acid methyl ester;MFCD07800315;Methyl5-Amino-2-chlorobenzoate;5-Amino-2-chloro-benzoic acid methyl ester;SCHEMBL57389;DTXSID40409457;methyl 5-amino-2-chloro-benzoate;BCP24532;Methyl 2-chloro-5-(amino)benzoate;AKOS000113005;AC-29816;AS-18359;SY013757;5-Am ino-2-chloro-benzoic acid methyl ester;CS-0042707;FT-0687117;M2812;Methyl 5-amino-2-chlorobenzoate, AldrichCPR;EN300-29596;benzoic acid, 5-amino-2-chloro-, methyl ester;Z285215234

Chemical Property of Methyl 5-amino-2-chlorobenzoate

Chemical Property:

• Vapor Pressure: 0.000333mmHg at 25°C
• Melting Point: 68-70oC
• Refractive Index: 1.58
• Boiling Point: 319.7 °C at 760 mmHg
• PKA: 2.81±0.10(Predicted)
• Flash Point: 147.2 °C
• PSA: 52.32000
• Density: 1.311 g/cm³
• LogP: 2.29000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: soluble in Methanol
• 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:

98%,99%, ^*data from raw suppliers

Methyl 5-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=CC(=C1)N)Cl
• Uses: Methyl 5-amino-2-chlorobenzoate

Technology Process of Methyl 5-amino-2-chlorobenzoate

There total 8 articles about Methyl 5-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%

methanol (67-56-1) + 2-chloro-5-aminobenzoic acid (89-54-3) → methyl 2-chloro-5-aminobenzoate (42122-75-8)

Guidance literature:

With thionyl chloride; at 0 ℃; for 12h; Reflux;

Reference yield: 100.0%

2-chloro-5-nitro-benzoic acid methyl ester (6307-82-0) → methyl 2-chloro-5-aminobenzoate (42122-75-8)

Guidance literature:

With hydrogen; In ethyl acetate; at 50 ℃; for 4h; under 7600.51 Torr; chemoselective reaction;

DOI:10.1021/ol800277a

Reference yield: 88.0%

C8H6ClN3O2 (1185221-13-9) → methyl 2-chloro-5-aminobenzoate (42122-75-8)

Guidance literature:

With hydrogenchloride; nickel boride; In methanol; water; for 0.0166667h; Microwave irradiation; Closed vessel;

DOI:10.1055/s-0029-1216831

upstream raw materials:

2-chloro-5-nitro-benzoic acid methyl ester

iron

sodium hydrogencarbonate

methanol

Downstream raw materials:

1-[1-(2-toluoylmethyl)-2-oxo-5-pivaloyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-methoxycarbonyl-4-chlorophenyl)urea

2-chloro-5-(5-nitro-pyridine-2-ylamino)-benzoic acid methyl ester

methyl 2-chloro-5-{[3-fluoro-5-(trifluoromethyl)benzoyl]amino}benzoate

C₈H₆Cl₂O₄S

Refernces

• 1、 -. "COMPOUNDS, COMPOSITIONS AND METHODS OF USE". Page/Page column 57-58; 64-67; 91. . Retrieved 2020/07/06.
• 2、 Chen, Shu,Liu, Jie,Pei, Dan,Ren, Guihua,Shi, Jianjun,Tan, Chengxia,Xu, Tianming,Yang, Ren,Zhang, Donglin,Zhang, Fan. "Synthesis and herbicidal activities of novel thiazole PPO inhibitors". . p. 192 - 198. Retrieved 2020/02/29.