3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one

Base Information

• Chemical Name: 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one
• CAS No.: 34905-87-8
• Molecular Formula: C₈H₁₀O₂
• Molecular Weight: 138.166
• NSC Number: 126361
• DSSTox Substance ID: DTXSID80298822
• Nikkaji Number: J464.756D
• Mol file: 34905-87-8.mol

Synonyms:34905-87-8;3a,4,7,7a-tetrahydro-1-benzofuran-2(3h)-one;NSC126361;3a,4,7,7a-Tetrahydrobenzofuran-2(3H)-one;SCHEMBL785507;DTXSID80298822;NSC-126361

Chemical Property of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one

Chemical Property:

• Vapor Pressure: 0.00488mmHg at 25°C
• Boiling Point: 276.2°Cat760mmHg
• Flash Point: 110.5°C
• Density: 1.136g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC2C1CC(=O)O2

Technology Process of 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one

There total 20 articles about 3a,4,7,7a-Tetrahydro-1-benzofuran-2(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: 95.0%

bicyclo[4.2.0]oct-3-en-7-one → 3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one (34905-87-8)

Guidance literature:

With dihydrogen peroxide; In water; acetic acid;

DOI:10.1016/S0040-4039(96)02375-1

Reference yield: 95.0%

(1R,6R)-Bicyclo[4.2.0]oct-3-en-7-one → 3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one (34905-87-8)

Guidance literature:

With dihydrogen peroxide; In water; acetic acid; at 5 ℃; for 14h;

DOI:10.1002/(SICI)1099-0690(199801)1998:1<57::AID-EJOC57<3.0.CO;2-W

Reference yield: 86.0%

C8H11NO → (-)-(3aS,7aR)-3a,4,7,7a-tetrahydrobenzofuran-2(3H)-one (124094-65-1,34905-87-8)

Guidance literature:

C₈H₁₁NO; With sodium hydroxide; In ethanol; Heating;

With calcium sulfate; toluene-4-sulfonic acid; In benzene; Further stages.; Heating;

DOI:10.1016/j.tetlet.2007.08.058

upstream raw materials:

C₈H₁₁ClHgO₂

cyclohexa-1,4-diene

(-)-bicyclo[4.2.0]oct-3-en-8-one

2-(cyclohex-2-enyl)acetic acid