3-Chloro-4-oxopentyl acetate

Base Information

• Chemical Name: 3-Chloro-4-oxopentyl acetate
• CAS No.: 13051-49-5
• Molecular Formula: C7H11ClO3
• Molecular Weight: 178.616
• Hs Code.: 2915390090
• European Community (EC) Number: 235-930-8
• DSSTox Substance ID: DTXSID10926767
• Nikkaji Number: J69.493B
• Mol file: 13051-49-5.mol

Synonyms:13051-49-5;3-chloro-4-oxopentyl acetate;(3-chloro-4-oxopentyl) acetate;5-Acetoxy-3-chloro-2-pentanone;2-Chloro-3-oxopentyl acetate;3-Chloro-5-hydroxy-2-pentanon acetate;3-Chloro-5-hydroxy-2-pentanone acetate;5-Acetoxy-3-chloropentan-2-one;5-(Acetyloxy)-3-chloro-2-pentanone;2-pentanone, 5-(acetyloxy)-3-chloro-;BRN 0971207;EINECS 235-930-8;AI3-34640;2-Pentanone, 3-chloro-5-hydroxy-, acetate;MFCD00068821;EC 235-930-8;2-Pentanone, 5-(acetyloxy)-3-chloro- (10CI);starbld0019562;2-chloro-3-oxopentylacetate;SCHEMBL260591;DTXSID10926767;AKOS006271549;AS-17847;SY019538;LS-101923;CS-0324583;FT-0659040;F10298;J-005819;F9994-5260

Chemical Property of 3-Chloro-4-oxopentyl acetate

Chemical Property:

• Vapor Pressure: 0.0565mmHg at 25°C
• Refractive Index: 1.438
• Boiling Point: 233.2 °C at 760 mmHg
• Flash Point: 94.5 °C
• PSA: 43.37000
• Density: 1.141 g/cm³
• LogP: 1.13600
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 178.0396719
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99.9% ^*data from raw suppliers

5-Acetoxy-3-chloro-2-pentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(CCOC(=O)C)Cl

Technology Process of 3-Chloro-4-oxopentyl acetate

There total 13 articles about 3-Chloro-4-oxopentyl 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: 93.0%

3-acetyl-3-chlorodihydrofuran-2(3H)-one (2986-00-7) + acetic acid (64-19-7,77671-22-8) → 5-Acetoxy-3-chloropentan-2-one (13051-49-5)

Guidance literature:

With hydrogenchloride; In water; at 25 - 125 ℃; for 0.5h; under 5250.53 Torr; Temperature;

Reference yield: 89.0%

3-acetyl-3-chlorodihydrofuran-2(3H)-one (2986-00-7) + acetic anhydride (108-24-7) → 5-Acetoxy-3-chloropentan-2-one (13051-49-5)

Guidance literature:

3-acetyl-3-chlorodihydrofuran-2(3H)-one; With hydrogenchloride; acetic acid; for 10h; Heating;

acetic anhydride; for 8h; Further stages.; Heating;

DOI:10.1016/j.bmcl.2007.11.101

Reference yield:

4-acetoxy-2-acetyl-2-chlorobutyric acid methyl ester → 5-Acetoxy-3-chloropentan-2-one (13051-49-5)

Guidance literature:

With sulfuric acid; Reflux;

upstream raw materials:

3-chloro-3-acetylpropanol

acetic anhydride

3, 5-dichloro-2-pentanone

acetic acid

Downstream raw materials:

4-Amino-2-aethyl-5-<<4-methyl-5-(2-hydroxy-aethyl)-thiazolio>-methyl>-pyrimidin Bromid-hydrobromid

thiochrome

acetic acid 2-(4-methyl-thiazol-5-yl)-ethyl ester

6-(2-hydroxy-ethyl)-5-methyl-4-(6-methyl-pyridin-3-ylmethyl)-2-phenyl-4H-[1,4]thiazin-3-one

Refernces

• 1、 Grabowska, Ewa,Czerniecka, Magdalena,Czy?ewska, Urszula,Zambrzycka, Aneta,?otowski, Zenon,Tylicki, Adam. "Differences in the efficiency of 3-deazathiamine and oxythiamine pyrophosphates as inhibitors of pyruvate dehydrogenase complex and growth of HeLa cells in?vitro". . p. 122 - 129. Retrieved 2021.
• 2、 -. "Synthetic method of thiazoles (by machine translation)". Paragraph 0016-0017; 0021-0022; 0026-0027. . Retrieved 2020/09/16.