3-Oxo-1,3-dihydro-2-benzofuran-1-carbonyl chloride

Base Information

Chemical Name:3-Oxo-1,3-dihydro-2-benzofuran-1-carbonyl chloride
CAS No.:75724-95-7
Molecular Formula:C₉H₅ClO₃
Molecular Weight:196.59
Hs Code.:
DSSTox Substance ID:DTXSID90507078
Mol file:75724-95-7.mol

Synonyms:75724-95-7;3-OXO-1H-2-BENZOFURAN-1-CARBONYL CHLORIDE;3-Oxo-1,3-dihydro-2-benzofuran-1-carbonyl chloride;SCHEMBL3945895;DTXSID90507078

Suppliers and Price of 3-Oxo-1,3-dihydro-2-benzofuran-1-carbonyl chloride

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Labseeker
1,3-DIHYDRO-3-OXO-1-ISOBENZOICFURANCARBONYLCHLORIDE 95
5g
$ 2200.00

Total 3 raw suppliers

Chemical Property of 3-Oxo-1,3-dihydro-2-benzofuran-1-carbonyl chloride

Chemical Property:

PSA：43.37000
LogP:1.66350
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.9927217
Heavy Atom Count:13
Complexity:251

Purity/Quality:

99% ^*data from raw suppliers

1,3-DIHYDRO-3-OXO-1-ISOBENZOICFURANCARBONYLCHLORIDE 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(OC2=O)C(=O)Cl

Technology Process of 3-Oxo-1,3-dihydro-2-benzofuran-1-carbonyl chloride

There total 3 articles about 3-Oxo-1,3-dihydro-2-benzofuran-1-carbonyl 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: 95.0%

: 708-14-5,62283-01-6,99266-05-4
phthalide-3-carboxylic acid

: 129881-51-2,75724-95-7
acid chloride of 1-oxo-1,3-dihydroisobenzofuran-3-carboxylic acid

Guidance literature:: With oxalyl dichloride; for 0.5h; Heating;

Reference yield:

: 87-41-2
2-benzofuran-1(3H)-one

: 129881-51-2,75724-95-7
acid chloride of 1-oxo-1,3-dihydroisobenzofuran-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium; diisopropylamine / tetrahydrofuran; hexane / 1.33 h / -78 °C / Inert atmosphere

1.2: 1.5 h / -78 °C / Inert atmosphere

2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 4 h / 0 - 20 °C

With n-butyllithium; oxalyl dichloride; diisopropylamine; N,N-dimethyl-formamide; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1039/c2cc31439h

Reference yield:

: 528-46-1
phthalonic acid

: 129881-51-2,75724-95-7
acid chloride of 1-oxo-1,3-dihydroisobenzofuran-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄ / methanol

2: SOCl₂ / 3 h / 50 - 60 °C

With sodium tetrahydroborate; thionyl chloride; In methanol;