(1Z)-3-Chloro-N-hydroxy-2-oxopropanimidoyl chloride

Base Information

• Chemical Name: (1Z)-3-Chloro-N-hydroxy-2-oxopropanimidoyl chloride
• CAS No.: 22416-94-0
• Molecular Formula: C3H3 Cl2 N O2
• Molecular Weight: 155.968
• Hs Code.: 2925290090
• NSC Number: 150031
• DSSTox Substance ID: DTXSID90430317
• Mol file: 22416-94-0.mol

Synonyms:22416-94-0;(1Z)-3-Chloro-N-hydroxy-2-oxopropanimidoyl chloride;NSC150031;SCHEMBL192650;DTXSID90430317;NSC-150031

Chemical Property of (1Z)-3-Chloro-N-hydroxy-2-oxopropanimidoyl chloride

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 269.4°Cat760mmHg
• Flash Point: 116.7°C
• PSA: 49.66000
• Density: 1.58g/cm³
• LogP: 0.82080
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.9540837
• Heavy Atom Count: 8
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1Z)-3-Chloro-N-hydroxy-2-oxopropanimidoyl chloride

There total 4 articles about (1Z)-3-Chloro-N-hydroxy-2-oxopropanimidoyl chloride 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: 53.0%

1,3-Dichloroacetone (534-07-6) → 3-chloro-N-hydroxy-2-oxo-propanimidoyl chloride (22416-94-0)

Guidance literature:

With hydrogenchloride; tert.-butylnitrite; In diethyl ether; at 26 ℃;

DOI:10.1016/j.bmc.2015.07.064

Reference yield:

1-chloro-3-(hydroxyimino)acetone (14337-41-8) → 3-chloro-N-hydroxy-2-oxo-propanimidoyl chloride (22416-94-0)

Guidance literature:

With chlorine; sodium hydrogencarbonate; In water; at 0 - 5 ℃; for 1h;

Reference yield:

tert.-butylnitrite (540-80-7) + 1,3-Dichloroacetone (534-07-6) → 3-chloro-N-hydroxy-2-oxo-propanimidoyl chloride (22416-94-0)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 15 ℃;

upstream raw materials:

pyruvohydroximoyl chloride

1,3-Dichloroacetone

tert.-butylnitrite

1-chloro-3-(hydroxyimino)acetone

Downstream raw materials:

3-chloro-2-[3-(chloroacetyl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl methanesulfonate

methanesulfonic acid [1-{2-[3-(2-chloro-acetyl)-4,5-dihydro-isoxazol-5-yl]phenyl}ethylidene]hydrazide

2-chloro-1-[5-(2,6-difluorophenyl)-4,5-dihydroisoxazol-3-yl]ethanone

2-chloro-1-[4,5-dihydro-5-(2-fluorophenyl)-3-isoxazolyl]ethanone

Refernces

• 1、 -. "Compound containing indole ring structure, preparation method and application of compound, and bactericide". Paragraph 0068; 0070; 0071. . Retrieved 2021/07/31.
• 2、 -. "Compound containing fused heterocyclic structure, preparation method and application thereof and bactericide". Paragraph 0068; 0071. . Retrieved 2020/11/12.