5-amino-3-cyclohexyl-1,2,3-oxadiazol-3-ium chloride

Base Information

• Chemical Name: 5-amino-3-cyclohexyl-1,2,3-oxadiazol-3-ium chloride
• CAS No.: 29396-39-2
• Molecular Formula: C8H14 N3 O . Cl
• Molecular Weight: 203.70
• Mol file: 29396-39-2.mol

Synonyms:1,2,3-Oxadiazolium,5-amino-3-cyclohexyl-, chloride (9CI); Sydnone imine, 3-cyclohexyl-, hydrochloride(7CI); Sydnone imine, 3-cyclohexyl-, monohydrochloride (8CI);3-Cyclohexylsydnonimine hydrochloride

Chemical Property of 5-amino-3-cyclohexyl-1,2,3-oxadiazol-3-ium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 55.93000
• Density: g/cm³
• LogP: -1.36530

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-amino-3-cyclohexyl-1,2,3-oxadiazol-3-ium chloride

There total 2 articles about 5-amino-3-cyclohexyl-1,2,3-oxadiazol-3-ium 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: 88.0%

N-(cyanomethyl)cyclohexylamine (1074-58-4) → 3-cyclohexyl-5-sydnone imine hydrochloride (29396-39-2)

Guidance literature:

N-(cyanomethyl)cyclohexylamine; With isopentyl nitrite; In diethyl ether; at 20 ℃; for 20h;

With hydrogenchloride; In diethyl ether; at 20 ℃; for 1.5h;

DOI:10.1002/ejoc.201800028

Reference yield:

cyclohexylamine (108-91-8,157973-60-9) → 3-cyclohexyl-5-sydnone imine hydrochloride (29396-39-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / acetonitrile / 20 h / Reflux

2.1: isopentyl nitrite / diethyl ether / 20 h / 20 °C

2.2: 1.5 h / 20 °C

With potassium carbonate; isopentyl nitrite; In diethyl ether; acetonitrile;

DOI:10.1002/ejoc.201800028

Reference yield: 96.0%

3-cyclohexyl-5-sydnone imine hydrochloride (29396-39-2) + benzoyl chloride (98-88-4) → 6-benzoyl-3-cyclohexylsydnone imine

Guidance literature:

With triethylamine; In dichloromethane; at -10 - 20 ℃; for 16h;

DOI:10.1002/ejoc.201800028

upstream raw materials:

cyclohexylamine

N-(cyanomethyl)cyclohexylamine

Downstream raw materials:

5-acetylamino-3-cyclohexyl-[1,2,3]oxadiazolium betaine

3-cyclohexyl-N-nitroso-5-sydnone imine

5-(4-acetylamino-benzenesulfonylamino)-3-cyclohexyl-[1,2,3]oxadiazolium betaine

N-cyclohexyl-N-nitroso-glycine nitrile

Refernces