4,6-Dihydroxy-5-methyl-2-benzofuran-1(3H)-one

Base Information

Chemical Name:4,6-Dihydroxy-5-methyl-2-benzofuran-1(3H)-one
CAS No.:52231-37-5
Molecular Formula:C9H8O4
Molecular Weight:180.15700
Hs Code.:2932209090
DSSTox Substance ID:DTXSID80564438
Metabolomics Workbench ID:103502
Nikkaji Number:J131.845D
Wikidata:Q77567179
Mol file:52231-37-5.mol

Synonyms:4,6-dihydroxy-5-methylphthalide;52231-37-5;4,6-Dihydroxy-5-methyl-2-benzofuran-1(3H)-one;DTXSID80564438;CHEBI:218931;4,6-dihydroxy-5-methyl-3H-2-benzouran-1-one

Suppliers and Price of 4,6-Dihydroxy-5-methyl-2-benzofuran-1(3H)-one

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

Total 3 raw suppliers

Chemical Property of 4,6-Dihydroxy-5-methyl-2-benzofuran-1(3H)-one

Chemical Property:

PSA：66.76000
LogP:1.07660
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:180.04225873
Heavy Atom Count:13
Complexity:228

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=C2C(=C1O)COC2=O)O

Technology Process of 4,6-Dihydroxy-5-methyl-2-benzofuran-1(3H)-one

There total 5 articles about 4,6-Dihydroxy-5-methyl-2-benzofuran-1(3H)-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: 87.0%

: 17811-37-9
4,6-dimethoxy-5-methylisobenzofuran-1(3H)-one

: 52231-37-5
4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranon

Guidance literature:: With boron tribromide; In dichloromethane; 1.) -70 deg C, 1 h, 2.) -70 to 10 deg C, 12 h;
DOI:10.1002/jlac.198519850808

Reference yield:

: 17811-36-8
silvaticol

: 52231-37-5
4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranon

Guidance literature:: With boron tribromide; In dichloromethane; for 0.0833333h; Heating;
DOI:10.1248/cpb.32.2622

Reference yield:

: 60441-79-4
methyl 3,5-dimethoxy-4-methylbenzoate

: 52231-37-5
4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranon

Guidance literature:: Multi-step reaction with 2 steps

1: 39 percent / conc. HCl / acetic acid / 9 h / Heating

2: 87 percent / BBr₃ / CH₂Cl₂ / 1.) -70 deg C, 1 h, 2.) -70 to 10 deg C, 12 h

With hydrogenchloride; boron tribromide; In dichloromethane; acetic acid;
DOI:10.1002/jlac.198519850808