trans-1-Chloro-4-methyl-1-penten-3-one

Base Information

• Chemical Name: trans-1-Chloro-4-methyl-1-penten-3-one
• CAS No.: 58953-14-3
• Molecular Formula: C6H9ClO
• Molecular Weight: 132.5881
• Nikkaji Number: J65.632A
• Wikidata: Q76387525
• Mol file: 58953-14-3.mol

Synonyms:58953-14-3;trans-1-Chloro-4-methyl-1-penten-3-one;(1E)-1-chloro-4-methylpent-1-en-3-one, E;(E)-1-chloro-4-methylpent-1-en-3-one;1-Penten-3-one, 1-chloro-4-methyl-, (E)-;SCHEMBL8130960;(E)-1-Chloro-4-methyl-1-penten-3-one;(1E)-1-chloro-4-methylpent-1-en-3-one;LS-102145;(1E)-1-chloro-4-methylpent-1-en-3-one,E;EN300-306629

Chemical Property of trans-1-Chloro-4-methyl-1-penten-3-one

Chemical Property:

• Vapor Pressure: 1.41mmHg at 25°C
• Boiling Point: 171.3°Cat760mmHg
• Flash Point: 73.2°C
• Density: 1.019g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.0341926
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)C=CCl
• Isomeric SMILES: CC(C)C(=O)/C=C/Cl

Technology Process of trans-1-Chloro-4-methyl-1-penten-3-one

There total 7 articles about trans-1-Chloro-4-methyl-1-penten-3-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:

1,1-dichloro-4-methylpentan-3-one (87025-28-3) → (E)-isopropyl 2-chlorovinyl ketone (58953-14-3)

Guidance literature:

With sodium bicarbonate; In water;

Reference yield:

isobutyryl chloride (79-30-1) + acetylene (74-86-2,25067-58-7) → (E)-isopropyl 2-chlorovinyl ketone (58953-14-3)

Guidance literature:

With tetrachloromethane; aluminium trichloride;

Reference yield:

(Z)-1-Hydroxy-4-methyl-pent-1-en-3-one (42731-26-0) → (E)-isopropyl 2-chlorovinyl ketone (58953-14-3)

Guidance literature:

With sulfuryl dichloride; In chloroform;

upstream raw materials:

isobutyryl chloride

acetylene

4-methylpent-1-yn-3-one

(Z)-1-Hydroxy-4-methyl-pent-1-en-3-one

Downstream raw materials:

2-hydroxy-6-isopropyl-nicotinic acid

2-hydroxy-6-isopropyl-nicotinonitrile

6-isopropyl-pyridin-2-ol

(E)-2-(3-hydroxy-3-phenyl-1-butenyl)-2-isopropyl-1,3-dioxolane