5-chloropentanal

Base Information

• Chemical Name: 5-chloropentanal
• CAS No.: 20074-80-0
• Molecular Formula: C5H9ClO
• Molecular Weight: 120.579
• Hs Code.: 2913000090
• European Community (EC) Number: 869-782-6
• DSSTox Substance ID: DTXSID20349105
• Nikkaji Number: J884.062H
• Wikidata: Q72456317
• Mol file: 20074-80-0.mol

Synonyms:5-Chlorovaleraldehyde;Valeraldehyde,5-chloro- (7CI,8CI);5-Chloropentanal;

Chemical Property of 5-chloropentanal

Chemical Property:

• Vapor Pressure: 1.36mmHg at 25°C
• Refractive Index: 1.419
• Boiling Point: 172 °C at 760 mmHg
• Flash Point: 66.8 °C
• PSA: 17.07000
• Density: 1.006g/cm³
• LogP: 1.59440
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 120.0341926
• Heavy Atom Count: 7
• Complexity: 45.3

Purity/Quality:

99% ^*data from raw suppliers

5-Chloropentanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCl)CC=O

Technology Process of 5-chloropentanal

There total 18 articles about 5-chloropentanal 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: 85.0%

5-chloropentan-1-ol (5259-98-3) → 5-chloro-pentanal (20074-80-0)

Guidance literature:

5-chloropentan-1-ol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h;

With triethylamine; In dichloromethane; at -78 - 20 ℃;

DOI:10.1039/C6OB01871H

Reference yield: 49.0%

δ-chlorovaleronitrile (6280-87-1) → 5-chloro-pentanal (20074-80-0)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; at -78 ℃; for 1h;

DOI:10.1021/jo00323a007

Reference yield:

methyl 5-chloropentanoate (14273-86-0) → 5-chloro-pentanal (20074-80-0)

Guidance literature:

With diisobutylaluminium hydride; In toluene;

DOI:10.1007/BF00909559

upstream raw materials:

5?chloro?1,2?epoxypentane

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine

1.3-chlorobromopropane

methyl 5-chloropentanoate

Downstream raw materials:

ethyl (2E)-7-chlorohept-2-enoate

C-(4-{N'-[5-Chloro-pent-(E)-ylidene]-hydrazino}-phenyl)-N-methyl-methanesulfonamide

(2R,4S,5R)-9-chloro-5-hydroxy-2-(p-methoxybenzyloxy)-4-methyl-nonan-3-one

(S)-(+)-N-(5-chloropentylidene)-p-toluenesulfinamide

Refernces

• 1、 Cuvigny et al.. "". . p. C5. Retrieved 1974.
• 2、 Komori, Saki,Yamaguchi, Yoshiko,Murakami, Yuka,Kataoka, Yasutaka,Ura, Yasuyuki. "Palladium/Copper-catalyzed Oxidation of Aliphatic Terminal Alkenes to Aldehydes Assisted by p-Benzoquinone". . p. 3946 - 3955. Retrieved 2020/07/06.
• 3、 Furnival, Rachel C.,Saruengkhanphasit, Rungroj,Holberry, Heather E.,Shewring, Jonathan R.,Guerrand, Hélène D. S.,Adams, Harry,Coldham, Iain. "Cascade oxime formation, cyclization to a nitrone, and intermolecular dipolar cycloaddition". . p. 10953 - 10962. Retrieved 2016/12/06.