2,3-dihydroxybenzoyl Chloride

Base Information

• Chemical Name: 2,3-dihydroxybenzoyl Chloride
• CAS No.: 66168-85-2
• Molecular Formula: C7H5ClO3
• Molecular Weight: 172.568
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID80473056
• Wikidata: Q82302233
• Mol file: 66168-85-2.mol

Synonyms:2,3-dihydroxybenzoyl Chloride;66168-85-2;Benzoyl chloride, 2,3-dihydroxy- (9CI);BENZOYL CHLORIDE, 2,3-DIHYDROXY-;2,3-Dihydroxybenzoylchlorid;SCHEMBL1435291;DTXSID80473056;AKOS006317953;F8881-5595

Chemical Property of 2,3-dihydroxybenzoyl Chloride

Chemical Property:

• PSA: 57.53000
• LogP: 1.47680
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.9927217
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dihydroxybenzoyl chloride 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,3-dihydroxybenzoyl Chloride

There total 2 articles about 2,3-dihydroxybenzoyl 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:

2,3-Dihydroxybenzoic acid (303-38-8) → 2,3-hydroxybenzoyl chloride (66168-85-2)

Guidance literature:

With thionyl chloride; In chloroform; at 90 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201006448

Reference yield:

→ 2,3-hydroxybenzoyl chloride (66168-85-2)

Guidance literature:

2,3-Dihydroxybenzoesaeure, Thionylchlorid;

DOI:10.1016/S0040-4039(01)83390-6

Reference yield: 69.0%

2,3-hydroxybenzoyl chloride (66168-85-2) + (3,5-dibromophenyl)methanol (145691-59-4) → 3,5-dibromobenzyl-2,3-dihydroxybenzoate

Guidance literature:

With triethylamine; In chloroform; for 24h; Reflux;

DOI:10.1039/c9dt01065c

upstream raw materials:

2,3-Dihydroxybenzoic acid

Downstream raw materials:

methyl-2,3-dihydroxybenzoate

methyl 2,2-diphenylbenzo[d][1,3]dioxole-4-carboxylate

2,3-<(diphenylmethylene)dioxy>benzoic acid

isopropyl 2,3-dihydroxybenzoate

Refernces

• 1、 VanCraen, David,Albrecht, Markus,Raabe, Gerhard,Pan, Fangfang,Rissanen, Kari. "A Supramolecular Chiral Auxiliary Approach: "remote Control" of Stereochemistry at a Hierarchically Assembled Dimeric Helicate". . p. 3255 - 3258. Retrieved 2016.
• 2、 Van Craen, David,Schlottmann, Marcel,Stahl, Wolfgang,R?uber, Christoph,Albrecht, Markus. "Kinetic investigation of the dissociation of dinuclear hierarchically assembled titanium(iv) helicates". . p. 10574 - 10580. Retrieved 2019.
• 3、 Van Craen, David,Rath, Wolfgang H.,Huth, Marina,Kemp, Laura,R?uber, Christoph,Wollschl?ger, Jan M.,Schalley, Christoph A.,Valkonen, Arto,Rissanen, Kari,Albrecht, Markus. "Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions". supporting information. p. 16959 - 16966. Retrieved 2017/11/30.