Propyl chloroacetate

Base Information

• Chemical Name: Propyl chloroacetate
• CAS No.: 5396-24-7
• Molecular Formula: C5H9ClO2
• Molecular Weight: 136.578
• Hs Code.: 2915400090
• European Community (EC) Number: 226-411-7
• NSC Number: 1205
• UNII: T8D5ZJV264
• DSSTox Substance ID: DTXSID80202247
• Nikkaji Number: J43.575I
• Wikidata: Q72502675
• Mol file: 5396-24-7.mol

Synonyms:Propyl chloroacetate;5396-24-7;propyl 2-chloroacetate;Chloroacetic acid propyl ester;Acetic acid, chloro-, propyl ester;T8D5ZJV264;NSC-1205;EINECS 226-411-7;AI3-39183;Propylchloracetat;n-propyl chloroacetate;UNII-T8D5ZJV264;SCHEMBL139300;Chloroacetic acid, propyl ester;DTXSID80202247;NSC1205;NSC 1205;AKOS006283795;FT-0623624;ACETIC ACID, 2-CHLORO-, PROPYL ESTER;F1905-7127

Chemical Property of Propyl chloroacetate

Chemical Property:

• Vapor Pressure: 2.01mmHg at 25°C
• Refractive Index: 1.419
• Boiling Point: 164 °C at 760 mmHg
• Flash Point: 69.3 °C
• PSA: 26.30000
• Density: 1.084 g/cm³
• LogP: 1.17840
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 136.0291072
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

PROPYL CHLOROACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCOC(=O)CCl

Technology Process of Propyl chloroacetate

There total 8 articles about Propyl chloroacetate 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: 92.0%

propan-1-ol (71-23-8) + chloroacetic acid (79-11-8) → n-propyl chloracetate (5396-24-7)

Guidance literature:

With sulfuric acid; for 6h; Reflux;

DOI:10.21577/0103-5053.20200053

Reference yield:

glycine n-propyl ester (13048-65-2) → n-propyl chloracetate (5396-24-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite / Acidic conditions

2: hydrogenchloride / water

With hydrogenchloride; sodium nitrite; In water;

DOI:10.1002/rcm.6457

Reference yield:

npropyl diazoacetate (24761-89-5) → n-propyl chloracetate (5396-24-7)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1002/rcm.6457

upstream raw materials:

propan-1-ol

chloroacetic acid

chloroacetyl chloride

methyl chloroacetate

Downstream raw materials:

2-(m-tolyloxy)acetic acid

2-(4-methylphenoxy)acetic acid

o-methylphenoxyacetic acid

n-propyl fluoroacetate

Refernces

• 1、 Sakr, Helmy,Ayyad, Rezk R.,El-Helby, Ali A.,Khalifa, Mohamed M.,Mahdy, Hazem A.. "Discovery of novel triazolophthalazine derivatives as DNA intercalators and topoisomerase II inhibitors". . . Retrieved 2021/02/16.
• 2、 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.