N-Hydroxyethanimidic acid chloride

Base Information

• Chemical Name: N-Hydroxyethanimidic acid chloride
• CAS No.: 683-58-9
• Molecular Formula: C2H4 Cl N O
• Molecular Weight: 93.5129
• Hs Code.: 2925290090
• European Community (EC) Number: 211-672-1
• DSSTox Substance ID: DTXSID0060989
• Nikkaji Number: J205.993B
• Mol file: 683-58-9.mol

Synonyms:(E)-N-Hydroxyacetimidoyl chloride;EINECS 211-672-1;Ethanimidoyl chloride, N-hydroxy-;683-58-9;C2H4ClNO;2175009-00-2;DTXSID0060989;N-Hydroxyethanimidic acid chloride;RNSUNNOEBOGKHG-RQOWECAXSA-N;(1Z)-N-hydroxyethanimidoyl chloride

Chemical Property of N-Hydroxyethanimidic acid chloride

Chemical Property:

• Vapor Pressure: 1.288mmHg at 25°C
• Melting Point: -3 °C
• Boiling Point: 152.666°C at 760 mmHg
• PKA: 8.80±0.10(Predicted)
• Flash Point: 46.131°C
• PSA: 32.59000
• Density: 1.258g/cm³
• LogP: 1.03280
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 92.9981414
• Heavy Atom Count: 5
• Complexity: 51.6

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Hydroxyethanimidic acid chloride

There total 16 articles about N-Hydroxyethanimidic acid 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: 100.0%

Acetaldehyde oxime (107-29-9) → acetohydroximoyl chloride (683-58-9)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 50 ℃; for 2h; Inert atmosphere;

Reference yield: 30.0%

(E)-acetaldoxime (5780-37-0) → (Z)-N-hydroxyacetimidoyl chloride (683-58-9)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 3h;

Reference yield:

(E)-acetaldoxime (5780-37-0) → acetohydroximoyl chloride (683-58-9)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 0 - 26 ℃; for 3h;

upstream raw materials:

Acetaldehyde oxime

(E)-acetaldoxime

Z-acetaldoxime

acethydroximic acid chloride

Downstream raw materials:

5-chloromethyl-3-methylisoxazole

3-methyl-5-vinylisoxazole

5-ethynyl-3-methyl-4,5-dihydro-isoxazole

5-(1-Cyclohexenyl)-3-methylisoxazole

Refernces

• 1、 Baran, Phil S.,Choi, Jin,Godineau, Edouard,Laudadio, Gabriele. "Practical and Regioselective Synthesis of C-4-Alkylated Pyridines". supporting information. p. 11927 - 11933. Retrieved 2021/08/20.
• 2、 Aicher, Thomas D.,Baer, Brian R.,Boyd, Steven A.,Chicarelli, Mark D.,Condroski, Kevin R.,DeWolf, Walter E.,Fischer, John,Frank, Michele,Hingorani, Gary P.,Hinklin, Ronald J.,Lee, Patrice A.,Neitzel, Nickolas A.,Pratt, Scott A.,Singh, Ajay,Sullivan, Francis X.,Turner, Timothy,Voegtli, Walter C.,Wallace, Eli M.,Williams, Lance. "Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator". supporting information. . Retrieved 2019/12/24.