(E)-5,5-dimethylhex-3-en-2-one

Base Information

Chemical Name:(E)-5,5-dimethylhex-3-en-2-one
CAS No.:20859-11-4
Molecular Formula:C8H14O
Molecular Weight:126.199
Hs Code.:
DSSTox Substance ID:DTXSID601303463
Nikkaji Number:J1.923.633A,J901.809C

Synonyms:20859-11-4;SCHEMBL319891;SCHEMBL319892;5,5-dimethylhex-3-en-2-one;JKFZQQCNCCECKX-AATRIKPKSA-N;DTXSID601303463;(E)-5,5-dimethylhex-3-en-2-one;AKOS013589988;(3E)-5,5-Dimethyl-3-hexen-2-one;EN300-1866422

Suppliers and Price of (E)-5,5-dimethylhex-3-en-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 (E)-5,5-dimethylhex-3-en-2-one

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:126.104465066
Heavy Atom Count:9
Complexity:126

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C=CC(C)(C)C
Isomeric SMILES:CC(=O)/C=C/C(C)(C)C

Technology Process of (E)-5,5-dimethylhex-3-en-2-one

There total 2 articles about (E)-5,5-dimethylhex-3-en-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:

: 917-92-0
3,3-Dimethylbut-1-yne

: 20859-11-4
(3E)-5,5-dimethylhex-3-en-2-one

: 616-55-7
2,4-di-tert-butyl-6-methylphenol

Guidance literature:: In hexane; at 70 - 80 ℃; Yield given. Yields of byproduct given;
DOI:10.1021/ja00057a020

Reference yield:

: 558-37-2
tert-butylethylene

: 83810-21-3
acide acetylsulfoacetique

: 105-46-4
sec-Butyl acetate

: 20859-11-4
(3E)-5,5-dimethylhex-3-en-2-one

Guidance literature:: In acetic anhydride; at 0 - 20 ℃; for 24h; Yield given. Yields of byproduct given;

Reference yield: 90.0%

: 20859-11-4
(3E)-5,5-dimethylhex-3-en-2-one

: 145865-96-9
4,9-dihydro-9-(p-toluenesulfonyl)-3H-pyrido-<3,4-b>indole

: 1421697-11-1
(4S,12bS)-4-tert-butyl-12-tosyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-2(12H)-one

Guidance literature:: With (S)-2-(3-((1R,2R)-2-aminocyclohexyl)thioureido)-N-benzhydryl-N,3,3-trimethylbutanamide; acetic acid; In toluene; at 4 ℃; for 192h; enantioselective reaction; Inert atmosphere;
DOI:10.1021/ja310718f