Acetic acid, chloro-, pentyl ester

Base Information

• Chemical Name: Acetic acid, chloro-, pentyl ester
• CAS No.: 5411-55-2
• Molecular Formula: C7H13ClO2
• Molecular Weight: 164.632
• Hs Code.: 2915400090
• NSC Number: 10985
• DSSTox Substance ID: DTXSID50202456
• Nikkaji Number: J121.503E
• Mol file: 5411-55-2.mol

Synonyms:Acetic acid, chloro-, pentyl ester;5411-55-2;Chloroacetic acid, pentyl ester;n-pentyl chloroacetate;amyl chloroacetate;Pentyl chloroacetate;amyl 2-chloroacetate;n-pentyl 2-chloroacetate;1-Pentanol, chloroacetate;SCHEMBL1037338;Acetic acid,chloro-,pentyl ester;DTXSID50202456;NSC10985;NSC 10985;NSC-10985;AKOS006279072

Chemical Property of Acetic acid, chloro-, pentyl ester

Chemical Property:

• Vapor Pressure: 0.386mmHg at 25°C
• Boiling Point: 197°Cat760mmHg
• Flash Point: 91°C
• PSA: 26.30000
• Density: 1.035g/cm³
• LogP: 1.95860
• XLogP3: 2.5
• 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%min ^*data from raw suppliers

ACETIC ACID, CHLORO-, PENTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)CCl

Technology Process of Acetic acid, chloro-, pentyl ester

There total 3 articles about Acetic acid, chloro-, pentyl ester 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: 90.0%

pentan-1-ol (71-41-0) + chloroacetic acid (79-11-8) → n-pentyl 2-chloroacetate (5411-55-2)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.21577/0103-5053.20190260

Reference yield:

pentan-1-ol (71-41-0) + chloroacetyl chloride (79-04-9) → n-pentyl 2-chloroacetate (5411-55-2)

Guidance literature:

Reference yield:

→ n-pentyl 2-chloroacetate (5411-55-2)

Guidance literature:

Saeure, Alkohol;

upstream raw materials:

pentan-1-ol

chloroacetic acid

chloroacetyl chloride

Downstream raw materials:

pentyloxy-acetic acid pentyl ester

Pentyloxycarbonylmethyl-triphenyl-phosphonium-chlorid

penta-1,2-diene

chloroacetic acid

Refernces

• 1、 Alves, Francinara S.,Barbosa-Filho, José M.,Cordeiro, Laísa V.,Huang, Min-Fu N.,Lima, Edeltrudes O.,Neto, Hermes Diniz,Souza, Helivaldo D. S.,Trindade, Emmely O.,de Athayde-Filho, Petr?nio F.,de Lima, Priscila S. V.,de Oliveira, Rafael F.,de Sousa, Abra?o P.. "Synthesis, in silico Study and Antimicrobial Evaluation of New Diesters Derived from Phthaloylglycine". . p. 953 - 962. Retrieved 2020/10/14.
• 2、 -. "Preparation method of novel thermosensitive ionic liquid and method for synthesizing chloracetate catalytically". Paragraph 0023-0026; 0032. . Retrieved 2019/04/02.