4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one

Base Information

Chemical Name:4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CAS No.:39721-65-8
Molecular Formula:C13H22O
Molecular Weight:194.317
Hs Code.:
DSSTox Substance ID:DTXSID801213585
Nikkaji Number:J520.271J
Mol file:39721-65-8.mol

Synonyms:(r)-(+)-dihydro-alpha-ionone;(+)-Dihydro-alpha-ionone;39721-65-8;SCHEMBL24459467;FEMA 3628;4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one;JHJCHCSUEGPIGE-LBPRGKRZSA-N;DTXSID801213585;4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone #;4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-(R)-2-Butanone;4-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-2-butanone;2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (R)-

Suppliers and Price of 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:194.167065321
Heavy Atom Count:14
Complexity:248

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CCCC(C1CCC(=O)C)(C)C
Isomeric SMILES:CC1=CCCC([C@H]1CCC(=O)C)(C)C

Technology Process of 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one

There total 15 articles about 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-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: 99.0%

: 24190-29-2
(R)-α-ionone

: 39721-65-8
(R)-(+)-α-dihydroionone

Guidance literature:: With hydrogen; In tetrahydrofuran; for 5h; under 760.051 Torr; enantioselective reaction;
DOI:10.1002/anie.202108037

Reference yield: 70.0%

: 917-54-4
methyllithium

: 4-[(1R)-2-iodo-6,6-dimethyl-2-cyclohexen-1-yl]-2-butanone

: 39721-65-8
(R)-(+)-α-dihydroionone

Guidance literature:: With 1,1'-bis-(diphenylphosphino)ferrocene; zinc(II) chloride; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; diethyl ether; at 20 ℃; for 24h;
DOI:10.1021/ol049221q

Reference yield: 61.0%

: 4-((R)-2,2-dimethyl-6-methylenecyclohexyl)butan-2-yl acetate

: 39721-65-8
(R)-(+)-α-dihydroionone

: (R)-(+)-γ-dihydroionone

Guidance literature:: 4-((R)-2,2-dimethyl-6-methylenecyclohexyl)butan-2-yl acetate; With potassium carbonate; In methanol; for 3h; Reflux;

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h; enantioselective reaction;
DOI:10.1002/anie.202108037