2-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenal

Base Information

• Chemical Name: 2-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenal
• CAS No.: 58102-02-6
• Molecular Formula: C14H22 O
• Molecular Weight: 206.328
• European Community (EC) Number: 261-121-4
• Nikkaji Number: J296.874F,J3.454.894C
• Mol file: 58102-02-6.mol

Synonyms:2-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenal;EINECS 261-121-4;58102-02-6;2-methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-butenal;SCHEMBL873934;2 - methyl - 4 - (2,6,6 - trimethyl - 2 - cyclohexen - 1 - yl) - 2 - butenal;AISADLWIINCFJS-BQYQJAHWSA-N;(E)-2-Methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-butenal;(E)-2-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-enal

Chemical Property of 2-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenal

Chemical Property:

• Vapor Pressure: 0.00512mmHg at 25°C
• Boiling Point: 275.4°Cat760mmHg
• Flash Point: 122.4°C
• PSA: 17.07000
• Density: 0.926g/cm³
• LogP: 3.76010
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1C=CC(C)C=O)(C)C
• Isomeric SMILES: CC1=CCCC(C1/C=C/C(C)C=O)(C)C

Technology Process of 2-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenal

There total 6 articles about 2-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenal 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:

(RS)-(E)-2-methyl-4-(2',6',6'-trimethyl-2'-cyclohexenyl)-1,2-epoxy-3-butene (58102-12-8) → (3E)-2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal (58102-02-6)

Guidance literature:

With lithium perchlorate; In 1,2-dimethoxyethane;

Reference yield:

methanolic sodium hydroxide + 10H-phenothiazine (92-84-2) + alpha-ionone (127-41-3,6901-97-9,14398-36-8,24190-29-2,30685-95-1,31798-12-6,52340-45-1,67529-94-6,67529-95-7) + chloroacetic acid ethyl ester (105-39-5) → (3E)-2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal (58102-02-6)

Guidance literature:

With pyridine; sodium methylate; In water; acetic acid;

Reference yield:

6-[(1E,3E)-4-methoxy-3-methylbuta-1,3-dien-1-yl]-1,5,5-trimethylcyclohexene → (3E)-2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal (58102-02-6)

Guidance literature:

With water; toluene-4-sulfonic acid; In tetrahydrofuran; at 20 - 25 ℃; for 24h; Inert atmosphere;

DOI:10.1055/s-0034-1378941

upstream raw materials:

alpha-ionone

chloroacetic acid ethyl ester

10H-phenothiazine

(RS)-(E)-2-methyl-4-(2',6',6'-trimethyl-2'-cyclohexenyl)-1,2-epoxy-3-butene

Downstream raw materials:

(+/-)-<3-Methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-yl>phosphonsaeure-diethylester

epsilon-carotene