3,5,5-Trimethyl-4-(3-oxo-1-butenyl)-2-cyclohexen-1-one

Base Information

• Chemical Name: 3,5,5-Trimethyl-4-(3-oxo-1-butenyl)-2-cyclohexen-1-one
• CAS No.: 20194-68-7
• Molecular Formula: C13H18O2
• Molecular Weight: 206.28100
• Hs Code.: 2914299000
• Mol file: 20194-68-7.mol

Synonyms:

Chemical Property of 3,5,5-Trimethyl-4-(3-oxo-1-butenyl)-2-cyclohexen-1-one

Chemical Property:

• PSA: 34.14000
• LogP: 2.69310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,5,5-Trimethyl-4-(3-oxo-1-butenyl)-2-cyclohexen-1-one

There total 5 articles about 3,5,5-Trimethyl-4-(3-oxo-1-butenyl)-2-cyclohexen-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:

alpha-ionone (127-41-3) → 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-3-buten-2-one (37677-81-9,809237-15-8) + 3-oxo-α-ionone (20194-68-7)

Guidance literature:

With phosphomolybdic acid; potassium tert-butylate; oxygen; In dimethyl sulfoxide; for 20h; Heating;

DOI:10.5012/bkcs.2010.31.6.1723

Reference yield:

(S)-α-ionone → 3-oxo-(S)-α-ionone (20194-68-7,33601-06-8,49816-95-7,53798-34-8,79734-43-3) + (3R,6S)-3-hydroxy-α-ionone + (3S,6S)-3-hydroxy-α-ionone

Guidance literature:

With glucose-6-phosphate; 6-phosphate dehydrogenase; cytochrome P₄₅₀ M₀₁A₈₂W mutant; NADPH; for 1h; stereoselective reaction; Enzymatic reaction;

DOI:10.1002/adsc.201200067 DOI:10.1002/adsc.201200067

Reference yield:

alpha-ionone (127-41-3) → transs-3-hydroxy-α-ionone + cis-3-hydroxy-α-ionone + 3-oxo-α-ionone (20194-68-7)

Guidance literature:

With glucose-6-phosphate; 6-phosphate dehydrogenase; cytochrome P₄₅₀ M₁₁L₄₃₇N mutant; NADPH; for 1h; Enzymatic reaction;

DOI:10.1002/adsc.201200067 DOI:10.1002/adsc.201200067

upstream raw materials:

alpha-ionone