Propanenitrile, 2,2'-[(1-cyano-1-methylethoxy)imino]bis[2-methyl-

Base Information

• Chemical Name: Propanenitrile, 2,2'-[(1-cyano-1-methylethoxy)imino]bis[2-methyl-
• CAS No.: 58102-56-0
• Molecular Formula: C12H18N4O
• Molecular Weight: 234.301
• DSSTox Substance ID: DTXSID50454711
• Wikidata: Q82276395
• Mol file: 58102-56-0.mol

Synonyms:58102-56-0;Propanenitrile, 2,2'-[(1-cyano-1-methylethoxy)imino]bis[2-methyl-;SCHEMBL7840143;DTXSID50454711

Chemical Property of Propanenitrile, 2,2'-[(1-cyano-1-methylethoxy)imino]bis[2-methyl-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 234.14806121
• Heavy Atom Count: 17
• Complexity: 407

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C#N)N(C(C)(C)C#N)OC(C)(C)C#N

Technology Process of Propanenitrile, 2,2'-[(1-cyano-1-methylethoxy)imino]bis[2-methyl-

There total 4 articles about Propanenitrile, 2,2'-[(1-cyano-1-methylethoxy)imino]bis[2-methyl- 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: 37.3%

2-amino-2-cyanopropane (19355-69-2) → 2-cyano-2-nitropropane (18992-13-7) + 1-cyano-1-methylethylnitrate (40561-27-1) + tris-(1-cyano-1-methyl-ethyl)-hydroxylamine (58102-56-0) + 2-hydroxy-2-methylpropanenitrile (75-86-5)

Guidance literature:

With perchloric acid; sodium nitrite; at 25 ℃; Product distribution; var. α-aminonitriles; other conditions, also radical scavengers;

DOI:10.1039/c39920000047

Reference yield:

2-cyano-2-nitrosopropane (44513-62-4,31018-29-8) → 2-cyano-2-nitropropane (18992-13-7) + tris-(1-cyano-1-methyl-ethyl)-hydroxylamine (58102-56-0)

Guidance literature:

With benzene;

Reference yield:

2-cyano-2-nitrosopropane (44513-62-4,31018-29-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-cyano-2-nitropropane (18992-13-7) + tris-(1-cyano-1-methyl-ethyl)-hydroxylamine (58102-56-0)

Guidance literature:

upstream raw materials:

2-cyano-2-nitrosopropane

2,3-dimethyl-buta-1,3-diene

benzene

2-amino-2-cyanopropane