5-Chloropentyl acetate

Base Information

• Chemical Name: 5-Chloropentyl acetate
• CAS No.: 20395-28-2
• Molecular Formula: C7H13ClO2
• Molecular Weight: 164.632
• Hs Code.: 2915390090
• European Community (EC) Number: 243-784-1
• NSC Number: 76003
• DSSTox Substance ID: DTXSID40885131
• Nikkaji Number: J26.276E
• Wikidata: Q72456321
• Mol file: 20395-28-2.mol

Synonyms:5-Chloropentyl acetate;20395-28-2;1-Acetoxy-5-chloropentane;5-Chloro-n-amyl acetate;1-Pentanol, 5-chloro-, 1-acetate;5-Chloro-1-pentanol acetate;5-Chloro-1-amyl acetate;5-Chloro-1-acetoxypentane;1-Pentanol, 5-chloro-, acetate;5-Chloro-1-pentyl acetate;5-CHLOROAMYL ACETATE;5-CHLOROPENTYLACETATE;acetic acid 5-chloro-pentyl ester;EINECS 243-784-1;NSC 76003;AI3-16502;5-acetoxypentyl chloride;NCIOpen2_000734;5-Chloropentyl acetate, 98%;SCHEMBL4987219;Acetic acid 5-chloropentyl ester;DTXSID40885131;NSC76003;MFCD00013696;NSC-76003;AKOS006221241;AS-61159;CS-0154996;FT-0620331;E75728;EN300-7640943;A814523;J-013275

Chemical Property of 5-Chloropentyl acetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.243mmHg at 25°C
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 206 °C at 760 mmHg
• Flash Point: 85 °C
• PSA: 26.30000
• Density: 1.035g/cm³
• LogP: 1.95860
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

99% ^*data from raw suppliers

5-ChloropentylAcetate ^*data from reagent suppliers

Safty Information:

• Statements: 23/24/25
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCCCCl
• Uses: 5-Chloropentyl acetate is a Friedel-Crafts haloalkyl ester with antibacterial properties.

Technology Process of 5-Chloropentyl acetate

There total 11 articles about 5-Chloropentyl acetate 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: 94.0%

TETRAHYDROPYRANE (142-68-7) + acetyl chloride (75-36-5) → 5-chloropentyl acetate (20395-28-2)

Guidance literature:

lanthanum(III) nitrate; at 60 ℃; for 1.16667h;

DOI:10.1080/00397910701649403

Reference yield: 21.0%

TETRAHYDROPYRANE (142-68-7) + acetyl chloride (75-36-5) → 5-chloropentyl acetate (20395-28-2) + dimethylglyoxal (431-03-8)

Guidance literature:

CoCl₂; In acetonitrile; Ambient temperature;

DOI:10.1016/S0040-4020(01)96041-7

Reference yield:

TETRAHYDROPYRANE (142-68-7) → 5-chloropentyl acetate (20395-28-2)

Guidance literature:

With acetic acid; tin(IV) chloride; In hydrogenchloride;

upstream raw materials:

TETRAHYDROPYRANE

acetyl chloride

1 ,5-pentanediol

5-chloropentan-1-ol

Downstream raw materials:

5-chloropentan-1-ol

7-bromoheptanoic acid

6-methyl-[1,2]oxathiane-2,2-dioxide

5-fluoropentyl acetate

Refernces

• 1、 McMillan, Alastair J.,Sieńkowska, Martyna,Di Lorenzo, Piero,Gransbury, Gemma K.,Chilton, Nicholas F.,Salamone, Michela,Ruffoni, Alessandro,Bietti, Massimo,Leonori, Daniele. "Practical and Selective sp3 C?H Bond Chlorination via Aminium Radicals". supporting information. p. 7132 - 7139. Retrieved 2021/03/03.
• 2、 Quinn, Ryan K.,K?nst, Zef A.,Michalak, Sharon E.,Schmidt, Yvonne,Szklarski, Anne R.,Flores, Alex R.,Nam, Sangkil,Horne, David A.,Vanderwal, Christopher D.,Alexanian, Erik J.. "Site-Selective Aliphatic C-H Chlorination Using N-Chloroamides Enables a Synthesis of Chlorolissoclimide". supporting information. p. 696 - 702. Retrieved 2016/02/03.