1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid

Base Information

Chemical Name:1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid
CAS No.:4792-28-3
Molecular Formula:C9H6O4
Molecular Weight:178.144
Hs Code.:
DSSTox Substance ID:DTXSID501237697
Nikkaji Number:J329.183I
Mol file:4792-28-3.mol

Synonyms:1,3-dihydro-3-oxo-4-isobenzofurancarboxylic acid;4792-28-3;3-oxo-1H-2-benzofuran-4-carboxylic acid;4-Isobenzofurancarboxylic acid, 1,3-dihydro-3-oxo-;Oprea1_659797;AC-776/15493010;SCHEMBL2808546;DTXSID501237697;AKOS004122991;3-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid

Suppliers and Price of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid

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
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price

Total 1 raw suppliers

Chemical Property of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid

Chemical Property:

PSA：0.00000
LogP:0.00000
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:178.02660867
Heavy Atom Count:13
Complexity:248

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C2=C(C(=CC=C2)C(=O)O)C(=O)O1

Technology Process of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid

There total 2 articles about 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid 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: 23.2%

: 1,6,7,7a-tetrahydro-1-oxo-3H-3a,6-epoxyisobenzofuran-7-carboxylic acid

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

: 4792-28-3
1,3-dihydro-3-oxo-4-isobenzofurancarboxylic acid

Guidance literature:: With sulfuric acid; acetic anhydride; at 0 - 45 ℃; for 14h;

Reference yield:

: 98-00-0,25212-86-6,93793-62-5
(2-furyl)methyl alcohol

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

: 4792-28-3
1,3-dihydro-3-oxo-4-isobenzofurancarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: chloroform / 24 h / 20 °C

2: acetic anhydride; sulfuric acid / 14 h / 0 - 45 °C

With sulfuric acid; acetic anhydride; In chloroform;

Reference yield:

: 4792-28-3
1,3-dihydro-3-oxo-4-isobenzofurancarboxylic acid

: 113793-49-0
C₂₀H₁₃NO₅

Guidance literature:: Multi-step reaction with 3 steps

1: 67 percent / SOCl₂ / benzene / 3 h / Heating

2: 73 percent / tetrahydrofuran; diethyl ether / 12 h / 0 - 25 °C

3: 79 percent / Rh₂(OAc)4 / CH₂Cl₂ / 12 h / 25 °C

With thionyl chloride; dirhodium tetraacetate; In tetrahydrofuran; diethyl ether; dichloromethane; benzene;
DOI:10.1021/ja00217a033