3-Phenylsydnone imine monohydrochloride

Base Information

• Chemical Name: 3-Phenylsydnone imine monohydrochloride
• CAS No.: 1008-78-2
• Deprecated CAS: 16917-41-2
• Molecular Formula: C8H8 N3 O . Cl
• Molecular Weight: 197.624
• UNII: UD7X6KZH5M
• DSSTox Substance ID: DTXSID00276783
• Mol file: 1008-78-2.mol

Synonyms:3-Phenylsydnone imine monohydrochloride;UD7X6KZH5M;Sydnone imine, 3-phenyl-, monohydrochloride;NSC 88189;1008-78-2;UNII-UD7X6KZH5M;DTXSID00276783;3-phenyloxadiazol-3-ium-5-amine;chloride;LS-148410;1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1);16917-41-2

Chemical Property of 3-Phenylsydnone imine monohydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.0355896
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[N+]2=NOC(=C2)N.[Cl-]

Technology Process of 3-Phenylsydnone imine monohydrochloride

There total 5 articles about 3-Phenylsydnone imine monohydrochloride 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: 94.0%

N-phenylglycinonitrile (3009-97-0) → 3-phenylsydnone imine hydrochloride (1008-78-2)

Guidance literature:

N-phenylglycinonitrile; With isopentyl nitrite; In diethyl ether; at 20 ℃; for 16h; Darkness;

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.25h;

DOI:10.1039/c3ob41047a

Reference yield: 50.0%

N-phenylglycinonitrile (3009-97-0) → 5-amino-3-phenyl-1,2,3-oxadiazol-3-ium chloride (1008-78-2,16917-41-2)

Guidance literature:

N-phenylglycinonitrile; With n-Amyl nitrite; In diethyl ether; at 20 ℃; for 20h;

With hydrogenchloride; In 1,4-dioxane;

DOI:10.1002/anie.201708790

Reference yield:

N-nitroso-N-phenyl-glycine nitrile (827-51-0) → 5-amino-3-phenyl-1,2,3-oxadiazol-3-ium chloride (1008-78-2,16917-41-2)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

N-nitroso-N-phenyl-glycine nitrile

N-phenylglycinonitrile

aniline

Downstream raw materials:

5-nitrosoamino-3-phenyl-[1,2,3]oxadiazolium betaine

acetyl(3-phenyl-1,2,3-oxadiazol-3-ium-5-yl)amide

3-phenyl-5-ureido-[1,2,3]oxadiazolium betaine

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