1-Chloro-3-pentanone

Base Information

• Chemical Name: 1-Chloro-3-pentanone
• CAS No.: 32830-97-0
• Molecular Formula: C5H9 Cl O
• Molecular Weight: 120.579
• Hs Code.: 2914700090
• European Community (EC) Number: 251-247-8
• NSC Number: 78422
• UNII: 9NZH8TUZ4A
• DSSTox Substance ID: DTXSID9067724
• Nikkaji Number: J319.456F
• Wikidata: Q81994367
• Mol file: 32830-97-0.mol

Synonyms:1-Chloro-3-pentanone;32830-97-0;3-Pentanone, 1-chloro-;1-Chloropentan-3-one;1-Chloroethyl ethyl ketone;9NZH8TUZ4A;beta-Chloroethyl ethyl ketone;.beta.-Chloroethyl ethyl ketone;EINECS 251-247-8;NSC 78422;NSC-78422;ss-Chlordiaethylketon;5-chloropentan-3-one;1-chloro-pentan-3-one;UNII-9NZH8TUZ4A;SCHEMBL952628;DTXSID9067724;NSC78422;AKOS006223728;FT-0729455;1-Chloro-3-pentanone, technical grade, 85%;1-Chloro-3-pentanone, purum, >=95.0% (GC);J-018898

Chemical Property of 1-Chloro-3-pentanone

Chemical Property:

• Vapor Pressure: 1.68mmHg at 25°C
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 167.7°Cat760mmHg
• Flash Point: 62.3°C
• PSA: 17.07000
• Density: 1.008g/cm³
• LogP: 1.59440
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 120.0341926
• Heavy Atom Count: 7
• Complexity: 61.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Chloro-3-pentanone ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)CCCl
• Uses: 1-Chloro-3-pentanone is a useful building block for organic synthesis.

Technology Process of 1-Chloro-3-pentanone

There total 11 articles about 1-Chloro-3-pentanone 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: 76.0%

ethene (74-85-1) + propionyl chloride (79-03-8) → 1-chloro-3-pentanone (32830-97-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 ℃; for 1.5h;

DOI:10.1021/jo00192a004

Reference yield: 20.0%

4-penten-3-one (1629-58-9) + Dihydroxy-styryl-boran (4363-35-3,6783-05-7,60806-02-2) → 1-chloro-3-pentanone (32830-97-0) + 1-phenyl-1-hepten-5-one

Guidance literature:

With acetyl chloride; at 25 ℃; for 18h;

DOI:10.1016/j.tetlet.2012.06.105

Reference yield:

pentan-3-one (96-22-0) → 2-chloro-3-pentanone (17042-21-6) + 1-chloro-3-pentanone (32830-97-0) + propionyl chloride (79-03-8) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

With chlorine; at 23.84 ℃; under 830 - 980 Torr; UV-irradiation;

DOI:10.1021/jp9083663

upstream raw materials:

ethene

propionyl chloride

diethylzinc

2-chloropropionyl chloride

Downstream raw materials:

N,N-dimethylaminopentan-3-one

4-ethylquinoline

1-(phenylamino)pentan-3-one

4-penten-3-one

Refernces

• 1、 Roscales, Silvia,Rincón, ángela,Buxaderas, Eduardo,Csák?, Aurelio G.. "Trifluoroacetic anhydride - Catalyzed conjugate addition of boronic acids to α,β-unsaturated ketones". experimental part. p. 4721 - 4724. Retrieved 2012/09/08.
• 2、 Boivin, Jean,Carpentier, Floriane,Jrad, Rafik. "An expedient, flexible and convergent access to selectively protected 1,5-dicarbonyl compounds. Applications to the synthesis of 2,6-disubstituted pyridines and thiopyridines". . p. 1664 - 1672. Retrieved 2007/10/03.