Methyl 2,3-dichlorobenzoate

Base Information

• Chemical Name: Methyl 2,3-dichlorobenzoate
• CAS No.: 2905-54-6
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.04
• Hs Code.: 2916399090
• European Community (EC) Number: 608-309-8
• DSSTox Substance ID: DTXSID4062696
• Nikkaji Number: J144.054C
• Wikidata: Q81990200
• Mol file: 2905-54-6.mol

Synonyms:Methyl 2,3-dichlorobenzoate;2905-54-6;Benzoic acid, 2,3-dichloro-, methyl ester;2,3-Dichlorobenzoic Methylester;2,3-Dichlorobenzoic acid methyl ester;METHYL2,3-DICHLOROBENZOATE;methyl-2,3-dichlorobenzoate;SCHEMBL993113;DTXSID4062696;MFCD00061099;STK428925;AKOS003302031;DS-4347;s12122;CS-0150892;FT-0693586;EN300-7367692

Chemical Property of Methyl 2,3-dichlorobenzoate

Chemical Property:

• Vapor Pressure: 0.00703mmHg at 25°C
• Melting Point: 33-38oC
• Refractive Index: 1.5537
• Boiling Point: 270°Cat760mmHg
• Flash Point: 116.1°C
• PSA: 26.30000
• Density: 1.355g/cm³
• LogP: 2.78000
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Methyl2,3-dichlorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2,3-dichlorobenzoate

There total 8 articles about Methyl 2,3-dichlorobenzoate 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: 92.0%

2,3-dichlorbenzoic acid (50-45-3) → 2,3-Dichlorobenzoic acid methyl ester (2905-54-6)

Guidance literature:

With sulfuric acid; In methanol; Reflux;

Reference yield: 72.0%

2,3-dichlorbenzoic acid (50-45-3) + trimethylsulphonium hydroxide (17287-03-5) → 2,3-Dichlorobenzoic acid methyl ester (2905-54-6)

Guidance literature:

In ethyl acetate; at 20 ℃; for 2h;

DOI:10.1016/S0045-6535(97)00205-1

Reference yield: 52.0%

methanol (67-56-1) + 2,3-dichlorbenzoic acid (50-45-3) → 2,3-Dichlorobenzoic acid methyl ester (2905-54-6)

Guidance literature:

Acidic conditions;

upstream raw materials:

1,6,7,7-Tetrachlor-cis-bicyclo<4.1.0>hept-3-en-2-ol

2,3-dichlorbenzoic acid

trimethylsulphonium hydroxide

ethyl 2,3-dichlorobenzoate

Downstream raw materials:

1-(2,3-dichlorophenyl)-1-hydroxy-2-phenyl-2-(2-pyridyl)ethylene

2,3-dichlorobenzoylacetonitrile

methyl 3-chlorobenzoate

1-(2,3-dichlorophenyl)-2-(pyridin-3-yl)ethanone

Refernces

• 1、 Hanasaka, Kazuya,Izumi, Koki,Kondo, Yoshinori,Kwon, Eunsang,Nozawa-Kumada, Kanako,Shigeno, Masanori,Tohara, Itsuki,Yamakoshi, Hiroyuki. "Direct C–H Carboxylation Forming Polyfunctionalized Aromatic Carboxylic Acids by Combined Br?nsted Bases". . p. 809 - 814. Retrieved 2022/02/05.
• 2、 -. "Pyrazolopyrimidine derivatives as PI3 kinase inhibitors". . . Retrieved 2015/09/22.