1-Chloro-2-propanone oxime

Base Information

• Chemical Name: 1-Chloro-2-propanone oxime
• CAS No.: 671-59-0
• Molecular Formula: C3H6ClNO
• Molecular Weight: 107.54
• Hs Code.: 2928000090
• Nikkaji Number: J51.014I
• Mol file: 671-59-0.mol

Synonyms:1-Chloro-2-propanone oxime;BRN 1737968;2-Propanone, 1-chloro-, oxime;671-59-0;3-01-00-02749 (Beilstein Handbook Reference);2-Propanone, chloro-, oxime;(e)-1-chloro-2-propanone oxime;1-chloroacetoxime;SCHEMBL13990218;LS-122811

Chemical Property of 1-Chloro-2-propanone oxime

Chemical Property:

• Vapor Pressure: 0.191mmHg at 25°C
• Boiling Point: 194.5°Cat760mmHg
• PKA: 11.45±0.10(Predicted)
• Flash Point: 71.4°C
• PSA: 32.59000
• Density: 1.18g/cm³
• LogP: 1.07530
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 107.0137915
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)CCl
• Isomeric SMILES: C/C(=N/O)/CCl

Technology Process of 1-Chloro-2-propanone oxime

There total 6 articles about 1-Chloro-2-propanone oxime 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:

chloroacetone (78-95-5) → 2-hydroxyimino-propionaldehyde oxime (1804-15-5) + chloroacetone oxime (671-59-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate;

Reference yield:

chloroacetone (78-95-5) → chloroacetone oxime (671-59-0)

Guidance literature:

With hydroxylamine salt; sodium hydrogencarbonate; Multistep reaction; 1.) H₂O; 2.) H₂O, r.t., 2.0 h;

DOI:10.1016/0584-8539(95)01409-N

Reference yield:

chloroacetone (78-95-5) → anti-chloroacetone oxime (671-59-0) + (E)-chloropropanone oxime

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; at 20 ℃; for 24h;

DOI:10.1080/10426501003769728

upstream raw materials:

chloroacetone

3-chloro-2-methyl-2-nitroso-propionaldehyde N,N'-dimer

hydroxylamine

Downstream raw materials:

C₁₀H₁₁NO₂Te

(E)-β-(N-hydroxyimino)propyldiphenylphosphine oxide

(E)-dimethylamino-acetone oxime

4-methyl-2-phenyl-1H-imidazole

Refernces

• 1、 Nakaiida, Shoho,Kato, Shinzi,Niyomura, Osamu,Ishida, Masaru,Ando, Fumio,Koketsu, Jugo. "Te-1-acylmethyl and Te-1-iminoalkyl telluroesters: Synthesis and thermolysis leading to 1,3-diketones and O-alkenyl and O-imino esters". experimental part. p. 930 - 946. Retrieved 2010/08/04.
• 2、 Olivato, P. R.,Ribeiro, D. S.,Rittner, R.,Hase, Y.,Pra del, D.,Bombieri, G.. "Stereochemical and electronic interaction studies of α-heterosubstituted acetone oximes". . p. 1479 - 1496. Retrieved 2007/10/02.