2,3-Dichlorobenzoyl chloride

Base Information

• Chemical Name: 2,3-Dichlorobenzoyl chloride
• CAS No.: 2905-60-4
• Molecular Formula: C7H3Cl3O
• Molecular Weight: 209.459
• Hs Code.: 29163990
• European Community (EC) Number: 246-643-2,220-811-5
• UNII: I50F21PS1N
• DSSTox Substance ID: DTXSID9062697
• Nikkaji Number: J152.928E
• Wikidata: Q27280449
• Mol file: 2905-60-4.mol

Synonyms:2,3-DICHLOROBENZOYL CHLORIDE;2905-60-4;Benzoyl chloride, 2,3-dichloro-;Benzoyl chloride, dichloro-;DICHLOROBENZOYL CHLORIDE;2,3-dichlorobenzoylchloride;EINECS 246-643-2;25134-08-1;UNII-I50F21PS1N;I50F21PS1N;HSDB 5901;EINECS 220-811-5;SCHEMBL93365;2,3-dichlorobenzoyl-chloride;2, 3-dichlorobenzoyl chloride;2,3-dichloro-benzoyl chloride;DTXSID9062697;2,3-Dichlorobenzoic acid chloride;MFCD00035937;AKOS009156529;2,3-Dichlorobenzoyl chloride, AldrichCPR;LS-42600;2,3-DICHLOROBENZOYL CHLORIDE [HSDB];D3206;FT-0609559;5D-108;EN300-1459122;A819741;W-107011;Q27280449

Chemical Property of 2,3-Dichlorobenzoyl chloride

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 30-32 °C
• Boiling Point: 140 °C 14mm
• Flash Point: 167 °C
• PSA: 17.07000
• Density: 1.498 g/cm³
• LogP: 3.37240
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 207.924948
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dichlorobenzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl

Technology Process of 2,3-Dichlorobenzoyl chloride

There total 7 articles about 2,3-Dichlorobenzoyl chloride 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%

2,3-dichlorbenzoic acid (50-45-3) → 2,3-dichlorobenzoyl chloride (2905-60-4)

Guidance literature:

2,3-dichlorbenzoic acid; With N,N-dimethyl-formamide; In dichloromethane; at 0 ℃; for 0.0833333h;

With oxalyl dichloride; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/jacs.0c13415

Reference yield: 88.0%

2,3-dichlorobenzotrichloride (84613-97-8) → 2,3-dichlorobenzoyl chloride (2905-60-4)

Guidance literature:

With water; zinc(II) chloride; at 160 - 165 ℃; for 1 - 7h; Product distribution / selectivity;

Reference yield:

2,3-dichlorobenzotrichloride (84613-97-8) + 2,3-dichlorbenzoic acid (50-45-3) → 2,3-dichlorobenzoyl chloride (2905-60-4)

Guidance literature:

With water; zinc(II) chloride; at 160 - 165 ℃; Product distribution / selectivity;

upstream raw materials:

2,3-dichlorbenzoic acid

2,3-dichlorobenzotrichloride

2,3-dichlorobenzonitrile

2,3-dichloroaniline

Downstream raw materials:

(R)-4-(2,3-Dichloro-benzoylamino)-4-(3,3-dimethyl-butylcarbamoyl)-butyric acid

(R)-5-(8-Aza-spiro[4.5]dec-8-yl)-4-(2,3-dichloro-benzoylamino)-5-oxo-pentanoic acid

(3-{[(RS)-1-(6-benzyl-3-chloro-2-methyl-7-oxo-6,7-dihydro-pyrazolo[1,5-c]pyrimidin-5-yl)-2-methyl-propyl]-[(2,3-dichloro-phenyl)-carbonyl]-amino}-propyl)-carbamic acid tert-butyl ester

2,3-dichlorobenzoyl cyanide

Refernces

• 1、 Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul. "Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates". supporting information. p. 5022 - 5037. Retrieved 2021/05/04.
• 2、 Cui, Xin-Feng,Hu, Fang-Peng,Huang, Guo-Sheng,Lu, Guo-Qiang. "Base-promoted Lewis acid catalyzed synthesis of quinazoline derivatives". supporting information. p. 4376 - 4380. Retrieved 2020/10/20.