3-Buten-1-one, 1-(4-chlorophenyl)-

Base Information

• Chemical Name: 3-Buten-1-one, 1-(4-chlorophenyl)-
• CAS No.: 95827-00-2
• Molecular Formula: C10H9ClO
• Molecular Weight: 180.634
• DSSTox Substance ID: DTXSID00465731
• Nikkaji Number: J469.932G
• Wikidata: Q82291921
• Mol file: 95827-00-2.mol

Synonyms:3-Buten-1-one, 1-(4-chlorophenyl)-;95827-00-2;SCHEMBL3415923;DTXSID00465731;AKOS010638140

Chemical Property of 3-Buten-1-one, 1-(4-chlorophenyl)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 180.0341926
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(=O)C1=CC=C(C=C1)Cl

Technology Process of 3-Buten-1-one, 1-(4-chlorophenyl)-

There total 10 articles about 3-Buten-1-one, 1-(4-chlorophenyl)- 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: 100.0%

1-(4-chlorophenyl)but-3-en-1-ol (14506-33-3) → 1-(4-chlorophenyl)but-3-en-1-one (95827-00-2)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.03.033

Reference yield: 82.0%

4-chloro-benzoyl chloride (122-01-0) + allyl bromide (106-95-6) → 1-(4-chlorophenyl)but-3-en-1-one (95827-00-2)

Guidance literature:

With indium; In N,N-dimethyl-formamide; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(97)10341-0

Reference yield: 81.0%

4-chloro-benzoyl chloride (122-01-0) + allyl-trimethyl-silane (762-72-1) → 1-(4-chlorophenyl)but-3-en-1-one (95827-00-2) + 4′-chloro-1-phenylbut-2-en-1-one (67864-02-2)

Guidance literature:

With indium(III) bromide; In dichloromethane; at 20 ℃; for 0.833333h;

DOI:10.1055/s-2003-42438

upstream raw materials:

1-(4-chloro-benzoyl)-1H-imidazole

allylmagnesium bromide

4-chloro-benzoyl chloride

allyltetrabutylstiborane

Downstream raw materials:

p-Chlorophenyl(3-bromo-2-methoxypropyl)ketone

(E)-1-(4-chlorophenyl)-2-buten-1-one

1-(4-chlorophenyl)but-3-en-1-one oxime

(3R,4S)-methyl 4-(4-chlorobenzoyl)-2-methylene-3-phenylhex-5-enoate