3-Methyl-6-hydroxybenzofuran

Base Information

• Chemical Name: 3-Methyl-6-hydroxybenzofuran
• CAS No.: 3652-66-2
• Molecular Formula: C9H8O2
• Molecular Weight: 148.161
• DSSTox Substance ID: DTXSID70445949
• Nikkaji Number: J891.423K
• Wikidata: Q82264501
• Mol file: 3652-66-2.mol

Synonyms:3-methylbenzofuran-6-ol;3652-66-2;3-methyl-6-hydroxybenzofuran;6-Benzofuranol, 3-methyl-;3-methyl-1-benzofuran-6-ol;6-hydroxy-3-methylbenzofuran;3-Methyl-6-oxy-cumaron;6-benzo[b]furanol,3-methyl-;SCHEMBL1400551;DTXSID70445949;QHWIITORDRWUMO-UHFFFAOYSA-N;A934328

Chemical Property of 3-Methyl-6-hydroxybenzofuran

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052429494
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=COC2=C1C=CC(=C2)O

Technology Process of 3-Methyl-6-hydroxybenzofuran

There total 1 articles about 3-Methyl-6-hydroxybenzofuran 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: 40.0%

3-(2-bromoallyloxy)-phenol (197086-82-1) → 3-methylbenzofuran-6-ol (3652-66-2) + 4-hydroxy-3-methylbenzofuran (3610-15-9) + recorcinol (108-46-3)

Guidance literature:

With caesium carbonate; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); In N,N-dimethyl acetamide; at 70 ℃; for 72h;

DOI:10.1016/S0040-4039(97)01468-8

Reference yield: 59.0%

3-methylbenzofuran-6-ol (3652-66-2) + ethyl acetoacetate (141-97-9) → 3,5-dimethyl-7H-furo[3,2-g]chromen-7-one (15183-96-7)

Guidance literature:

With aluminum oxide; zinc(II) chloride; for 0.0533333h; microwave irradiation;

DOI:10.1080/10426500307819

Reference yield:

3-methylbenzofuran-6-ol (3652-66-2) + 3,4-dihydroxybenzonitrile (17345-61-8) → (3,4-dihydroxy-phenyl)-(6-hydroxy-3-methyl-benzofuran-2-yl)-ketone

Guidance literature:

With hydrogenchloride; diethyl ether; zinc(II) chloride; at 80 ℃; im Rohr und Kochen des Reaktionsprodukts mit Wasser;

upstream raw materials:

3-(2-bromoallyloxy)-phenol

Downstream raw materials:

2-benzoyl-3-methyl-6-hydroxybenzofuran

(6-hydroxy-3-methyl-benzofuran-2-yl)-(4-methoxy-phenyl)-ketone

3,5-dimethyl-7H-furo[3,2-g]chromen-7-one

7-acetyl-6-benzoyloxy-3-methyl benzofuran