3-Buten-2-one, 4-cyclohexyl-

Base Information

• Chemical Name: 3-Buten-2-one, 4-cyclohexyl-
• CAS No.: 7152-32-1
• Molecular Formula: C10H16 O
• Molecular Weight: 152.236
• European Community (EC) Number: 230-495-0
• NSC Number: 22294
• UNII: PM82ZQ3CVK
• DSSTox Substance ID: DTXSID7064578
• Nikkaji Number: J81.341I,J901.810G
• ChEMBL ID: CHEMBL203827
• Mol file: 7152-32-1.mol

Synonyms:3-Buten-2-one, 4-cyclohexyl-;4-cyclohexylbut-3-en-2-one;4-Cyclohexyl-3-buten-2-one;7152-32-1;(E)-4-cyclohexylbut-3-en-2-one;41437-84-7;PM82ZQ3CVK;3-Buten-2-one, 4-cyclohexyl-, (3E)-;trans-4-Cyclohexyl-3-buten-2-one;UNII-PM82ZQ3CVK;NSC 22294;EINECS 230-495-0;NSC-22294;AI3-24769;NSC22294;SCHEMBL809692;SCHEMBL814591;CHEMBL203827;DTXSID7064578;(E)-1-Cyclohexyl-1-buten-3-one;(e)-4-cyclohexyl-but-3-en-2-one;CS-0232689;CS-0356780;EN300-128150;Z1217226894

Chemical Property of 3-Buten-2-one, 4-cyclohexyl-

Chemical Property:

• Vapor Pressure: 0.0482mmHg at 25°C
• Boiling Point: 236.1°C at 760 mmHg
• Flash Point: 94°C
• PSA: 17.07000
• Density: 0.976g/cm³
• LogP: 2.71190
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 152.120115130
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CC1CCCCC1
• Isomeric SMILES: CC(=O)/C=C/C1CCCCC1

Technology Process of 3-Buten-2-one, 4-cyclohexyl-

There total 14 articles about 3-Buten-2-one, 4-cyclohexyl- 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: 96.0%

1-triphenylphosphoranylidene-2-propanone (1439-36-7) + cyclohexanecarbaldehyde (2043-61-0) → 4-cyclohexyl-3-buten-2-one (7152-32-1)

Guidance literature:

In dichloromethane; Reflux;

DOI:10.1016/j.bmcl.2011.01.028

Reference yield: 89.0%

acetone (67-64-1) + cyclohexanecarbaldehyde (2043-61-0) → 4-cyclohexyl-3-buten-2-one (7152-32-1)

Guidance literature:

With sodium hydroxide; In water; at 7 ℃; for 2.5h;

Reference yield: 65.8%

→ 4-cyclohexyl-3-buten-2-one (7152-32-1)

Guidance literature:

With sodium hydroxide; In water; at 70 ℃; for 4h;

upstream raw materials:

4-cyclohexyl-4-hydroxybutan-2-one

oxalic acid

1-diethylamino-1-buten-3-one

cyclohexylmagnesium bromide

Downstream raw materials:

3,5-dioxo-bicyclohexyl-2-carboxylic acid ethyl ester

4-cyclohexylidene-2-butanone

3-cyclohexylacrylic acid

[1,1'-bi(cyclohexane)]-3,5-dione