2-Chloro-1-benzofuran-3-one

Base Information

• Chemical Name: 2-Chloro-1-benzofuran-3-one
• CAS No.: 82415-85-8
• Molecular Formula: C8H5 Cl O2
• Molecular Weight: 168.58
• DSSTox Substance ID: DTXSID701308923
• Mol file: 82415-85-8.mol

Synonyms:2-Chloro-1-benzofuran-3-one;82415-85-8;3(2h)-benzofuranone,2-chloro-;2-Chloro-3(2H)-benzofuranone;DTXSID701308923

Chemical Property of 2-Chloro-1-benzofuran-3-one

Chemical Property:

• PSA: 26.30000
• LogP: 1.82660
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.9978071
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

2-chloro-3(2H)-Benzofuranone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(O2)Cl

Technology Process of 2-Chloro-1-benzofuran-3-one

There total 1 articles about 2-Chloro-1-benzofuran-3-one 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: 59.0%

3(2H)-benzofuranone oxime (82415-84-7) + ethanol (64-17-5) → 2-Chloro-benzofuran-3-one (82415-85-8)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0040-4039(00)87075-6

Reference yield: 90.0%

2-Chloro-benzofuran-3-one (82415-85-8) + 2,6-di-tert-butyl-4-(2-hydroxybenzylidene)-2,5-cyclohexadiene-1-one → 3'-(3,5-di-tert-butyl-4-hydroxyphenyl)-3H,3'H-2,2'-spirobi[benzofuran]-3-one

Guidance literature:

With ((2S,3R)-2-((R)-2-((tert-butoxycarbonyl)amino)-3,3-dimethylbutanamido)-3-((tert-butyldiphenylsilyl)oxy)butyl)((perfluorophenyl)methyl)diphenylphosphonium bromide; caesium carbonate; In Petroleum ether; at -20 ℃; for 72h; enantioselective reaction;

DOI:10.1021/acs.orglett.9b02560

upstream raw materials:

3(2H)-benzofuranone oxime

ethanol