1,5-Dichloropentan-3-one

Base Information

• Chemical Name: 1,5-Dichloropentan-3-one
• CAS No.: 3592-25-4
• Molecular Formula: C5H8Cl2O
• Molecular Weight: 155.024
• Hs Code.: 2914790090
• DSSTox Substance ID: DTXSID30957336
• Nikkaji Number: J814.512A
• Wikidata: Q72467204
• Mol file: 3592-25-4.mol

Synonyms:1,5-Dichloropentan-3-one;3592-25-4;1,5-Dichloro-3-pentanone;1 5-DICHLORO-3-PENTANONE;3-Pentanone, 1,5-dichloro-;MFCD06659623;chloroethyl ketone;Bis(2-chloroethyl) ketone;1,5-Dichloro-3-pentanone #;SCHEMBL1685816;AMY9352;DTXSID30957336;AC-873;AKOS006282140;CS-W004439;DS-16221;SY031905;FT-0601138;EN300-74903;A823045

Chemical Property of 1,5-Dichloropentan-3-one

Chemical Property:

• Appearance/Colour: yellow to light brown liquid
• Vapor Pressure: 0.0884mmHg at 25°C
• Refractive Index: 1.446
• Boiling Point: 225 °C at 760 mmHg
• Flash Point: 90.6 °C
• PSA: 17.07000
• Density: 1.183 g/cm³
• LogP: 1.81330
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 153.9952203
• Heavy Atom Count: 8
• Complexity: 64.8

Purity/Quality:

99% ^*data from raw suppliers

1,5-Dichloropentan-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)C(=O)CCCl

Technology Process of 1,5-Dichloropentan-3-one

There total 5 articles about 1,5-Dichloropentan-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: 95.0%

ethene (74-85-1) + 2-chloropropionyl chloride (625-36-5) → 1,5-dichloropentan-3-one (3592-25-4)

Guidance literature:

With aluminum (III) chloride;

Reference yield:

2-chloropropionyl chloride (625-36-5) → 1,5-dichloropentan-3-one (3592-25-4)

Guidance literature:

With hydrogenchloride; aluminium trichloride; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane;

Reference yield:

ethene (74-85-1) + 2-chloropropionyl chloride (625-36-5) + aluminium (7429-90-5) → 1,5-dichloropentan-3-one (3592-25-4)

Guidance literature:

With hydrogenchloride; In dichloromethane; water;

upstream raw materials:

ethene

2-chloropropionyl chloride

aluminium

1,5-dimethoxy-pentan-3-one

Downstream raw materials:

divinylketone

1-(4-methoxyphenyl)piperidin-4-one

1-phenylpiperidin-4-one

1-(4-Chlorophenyl)-4,4-dimethoxypiperidine

Refernces

• 1、 Ishikawa, Minoru,Tsushima, Masaki,Kubota, Dai,Yanagisawa, Yumiko,Hiraiwa, Yukiko,Kojima, Yasuo,Ajito, Keiichi,Anzai, Naomichi. "A scalable synthesis of MN-447, an antagonist for integrins αvβ3 and αIIbβ 3". . p. 596 - 602. Retrieved 2013/01/03.
• 2、 -. "SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES". Page/Page column 124. . Retrieved 2008/06/13.