2,3-Dimethoxybenzoyl chloride

Base Information

• Chemical Name: 2,3-Dimethoxybenzoyl chloride
• CAS No.: 7169-06-4
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2918990090
• European Community (EC) Number: 673-228-7
• DSSTox Substance ID: DTXSID30374302
• Nikkaji Number: J2.024.082B
• Wikidata: Q82162833
• Mol file: 7169-06-4.mol

Synonyms:2,3-dimethoxybenzoyl chloride;7169-06-4;2,3-dimethoxy-benzoyl chloride;2,3-dimethoxybenzoylchloride;dimethoxybenzoyl chloride;SCHEMBL341330;DTXSID30374302;JQNBCSPQVSUBSR-UHFFFAOYSA-N;STR05515;MFCD03424705;AKOS005151399;EN300-24779;A902286;F2190-0053

Chemical Property of 2,3-Dimethoxybenzoyl chloride

Chemical Property:

• Boiling Point: 163°C/10mm
• PSA: 35.53000
• LogP: 2.08280
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Dimethoxybenzoyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)C(=O)Cl

Technology Process of 2,3-Dimethoxybenzoyl chloride

There total 4 articles about 2,3-Dimethoxybenzoyl 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-dimethoxybenzoic acid (1521-38-6) → 2,3-dimethoxybenzoyl chloride (7169-06-4)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; at 65 ℃; for 1h;

DOI:10.1021/jm00170a040

Reference yield:

oxalyl dichloride (79-37-8) + 2,3-dimethoxybenzoic acid (1521-38-6) → 2,3-dimethoxybenzoyl chloride (7169-06-4)

Guidance literature:

N,N-dimethyl-formamide; In dichloromethane;

Reference yield:

2,3-dimethyoxybenzaldehyde (86-51-1) → 2,3-dimethoxybenzoyl chloride (7169-06-4)

Guidance literature:

Multi-step reaction with 2 steps

1: AgNO₃; NaOH

2: SOCl₂

With sodium hydroxide; thionyl chloride; silver nitrate;

upstream raw materials:

2,3-dimethoxybenzoic acid

3-methoxy-2-hydroxybenzaldehyde

2,3-dimethyoxybenzaldehyde

oxalyl dichloride

Downstream raw materials:

2,3-dimethoxyacetophenone

N,N-dimethyl-2,3-dimethoxybenzamide

2,3-dimethoxy-benzoic acid-(2,3-dimethoxy-phenethylamide)

(2,3-dimethoxyphenyl)propyl ketone

Refernces

• 1、 Apostol, Mariana,Baret, Paul,Serratrice, Guy,Desbrieres, Jacques,Putaux, Jean-Luc,Stebe, Marie-Jose,Expert, Dominique,Pierre, Jean-Louis. "Self-assembly of an amphiphilic iron(III) chelator: Mimicking iron acquisition in marine bacteria". . p. 2580 - 2582. Retrieved 2005.
• 2、 Zhang, Fang,Lin, Yiyu,Min, Wenjian,Hou, Yi,Yuan, Kai,Wang, Jin,Yang, Peng. "Computational discovery, structural optimization and biological evaluation of novel inhibitors targeting transient receptor potential vanilloid type 3 (TRPV3)". . . Retrieved 2021/06/30.
• 3、 -. "TYK2 Inhibitor compounds containing alkoxy and amide groups". Paragraph 0101-0102; 0107-0108. . Retrieved 2021/11/21.