3,5,5-Trimethyl-2-(3-oxobutyl)cyclohex-2-en-1-one

Base Information

Chemical Name:3,5,5-Trimethyl-2-(3-oxobutyl)cyclohex-2-en-1-one
CAS No.:46398-15-6
Molecular Formula:C₁₃H₂₀O₂
Molecular Weight:208.301
Hs Code.:
DSSTox Substance ID:DTXSID70567236
Wikidata:Q82453051
Mol file:46398-15-6.mol

Synonyms:3,5,5-Trimethyl-2-(3-oxobutyl)cyclohex-2-en-1-one;46398-15-6;DTXSID70567236

Suppliers and Price of 3,5,5-Trimethyl-2-(3-oxobutyl)cyclohex-2-en-1-one

Supply Marketing:

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

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Chemical Property of 3,5,5-Trimethyl-2-(3-oxobutyl)cyclohex-2-en-1-one

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:208.146329876
Heavy Atom Count:15
Complexity:321

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)CC(C1)(C)C)CCC(=O)C

Technology Process of 3,5,5-Trimethyl-2-(3-oxobutyl)cyclohex-2-en-1-one

There total 4 articles about 3,5,5-Trimethyl-2-(3-oxobutyl)cyclohex-2-en-1-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:

: 2-(3-chloro-but-2-enyl)-3,5,5-trimethyl-cyclohex-2-enone

: 46398-15-6
2-(3-oxobutyl)-3,5,5-trimethylcyclohex-2-enone

Guidance literature:: With sulfuric acid;

Reference yield:

: 78-59-1
3,5,5-Trimethylcyclohex-2-en-1-one

: 46398-15-6
2-(3-oxobutyl)-3,5,5-trimethylcyclohex-2-enone

Guidance literature:: Multi-step reaction with 2 steps

1: sodium tert-pentylate; toluene

2: H₂SO₄

With sulfuric acid; sodium tert-pentoxide; toluene;

Reference yield:

: 23088-21-3
isophorone morpholine dienamine

: 78-94-4,25038-87-3
methyl vinyl ketone

: 46398-15-6
2-(3-oxobutyl)-3,5,5-trimethylcyclohex-2-enone

: 144487-74-1
5,5,7-trimethyl-4,4a,5,6-tetrahydronaphthalen-2(3H)-one

: 144487-73-0
5,5-dimethyl-3-(4-oxopentyl)cyclohex-2-en-1-one

: N-acetyl-4,6,6-trimethylbicyclo<2.2.2>octan-2-one

Guidance literature:: With sodium acetate; acetic acid; Yield given. Multistep reaction. Yields of byproduct given; 1.) methanol, reflux, 4 h, 2.) methanol, water, reflux, 5 h;