3,3-Dimethylhexahydro-2-benzofuran-1(3h)-one

Base Information

Chemical Name:3,3-Dimethylhexahydro-2-benzofuran-1(3h)-one
CAS No.:17351-10-9
Molecular Formula:C₁₀H₁₆O₂
Molecular Weight:168.236
Hs Code.:
NSC Number:140618
DSSTox Substance ID:DTXSID00938399
Nikkaji Number:J1.868.919G

Synonyms:17351-10-9;3,3-dimethylhexahydro-2-benzofuran-1(3h)-one;NSC140618;SCHEMBL13588296;DTXSID00938399;AKOS004907840;NSC-140618

Suppliers and Price of 3,3-Dimethylhexahydro-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 4 raw suppliers

Chemical Property of 3,3-Dimethylhexahydro-2-benzofuran-1(3h)-one

Chemical Property:

Vapor Pressure:0.013mmHg at 25°C
Boiling Point:259.4°C at 760 mmHg
Flash Point:102.2°C
Density:1.009g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:168.115029749
Heavy Atom Count:12
Complexity:208

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2CCCCC2C(=O)O1)C

Technology Process of 3,3-Dimethylhexahydro-2-benzofuran-1(3h)-one

There total 11 articles about 3,3-Dimethylhexahydro-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: 73.0%

: 917-64-6
methyl magnesium iodide

: 13149-00-3
1,2-cis-cyclohexanedicarboxylic anhydride

: 17351-10-9,17351-14-3,40066-17-9
4,4-dimethyl-cis-3-oxabicyclo[4.3.0]nonan-2-one

Guidance literature:: methyl magnesium iodide; 1,2-cis-cyclohexanedicarboxylic anhydride; In diethyl ether; at 20 ℃; for 3h;

With hydrogenchloride; water; In diethyl ether; Cooling;
DOI:10.1021/jf105019u

Reference yield:

: 1192-88-7
1-cyclohexene-1-carboxaldehyde

: 67-63-0,8013-70-5
isopropyl alcohol

: 17351-10-9,17351-14-3,40066-17-9
4,4-dimethyl-cis-3-oxabicyclo[4.3.0]nonan-2-one

: 3,3-dimethyloctahydroisobenzofuran-1-one

Guidance literature:: 1-cyclohexene-1-carboxaldehyde; isopropyl alcohol; With disodium benzophenone-4,4'-disulfonate; sodium 3-(3-sulfonatobenzoyl)benzene-1-sulfonate; In water; for 16h; Irradiation;

With bromine; barium carbonate; In 1,4-dioxane; water; at 20 ℃; for 2h; Title compound not separated from byproducts;
DOI:10.1016/S0040-4020(02)01659-9

Reference yield:

: 101045-99-2
2-Cyano-8-methyl-non-7-enoic acid ethyl ester

: 17351-10-9,17351-14-3,40066-17-9
4,4-dimethyl-cis-3-oxabicyclo[4.3.0]nonan-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) KOH; 2.) 3O(OAc)7(HOAc)>*5H₂O / 1.) EtOH; 2.) AcOH, 70 deg C

2: HCl / diethyl ether

3: basic Al₂O₃ / H₂O; dioxane / Heating

With hydrogenchloride; aluminum oxide; potassium hydroxide; *5H2O; In 1,4-dioxane; diethyl ether; water;
DOI:10.1016/S0040-4039(00)89244-8