N-(4-Cyanophenyl)-N-methylnitrous amide

Base Information

• Chemical Name: N-(4-Cyanophenyl)-N-methylnitrous amide
• CAS No.: 18600-48-1
• Molecular Formula: C8H7N3O
• Molecular Weight: 161.163
• ChEMBL ID: CHEMBL2376177
• DSSTox Substance ID: DTXSID10577273
• Wikidata: Q82467229
• Mol file: 18600-48-1.mol

Synonyms:N-(4-Cyanophenyl)-N-methylnitrous amide;18600-48-1;CHEMBL2376177;SCHEMBL13619937;DTXSID10577273

Chemical Property of N-(4-Cyanophenyl)-N-methylnitrous amide

Chemical Property:

• PSA: 56.46000
• LogP: 1.67588
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.058911855
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=C(C=C1)C#N)N=O

Technology Process of N-(4-Cyanophenyl)-N-methylnitrous amide

There total 6 articles about N-(4-Cyanophenyl)-N-methylnitrous amide 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: 85.0%

4-cyano-N-methylaniline (4714-62-9) → N-methyl-N-(4-cyanophenyl)nitrous amide (18600-48-1)

Guidance literature:

With hydrogenchloride; In water; at 10 ℃;

DOI:10.1021/ja408541c

Reference yield:

4-cyano-N-methylaniline (4714-62-9) + isopentyl nitrite (110-46-3) → N-methyl-N-(4-cyanophenyl)nitrous amide (18600-48-1)

Guidance literature:

With 4-(1,1-dimethylethyl)benzoic acid; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.1039/c9cc04529e

Reference yield:

4-cyano-N,N-dimethylaniline (1197-19-9) → N-methyl-N-(4-cyanophenyl)nitrous amide (18600-48-1)

Guidance literature:

With hydrogenchloride; sodium nitrite; at 0 ℃;

upstream raw materials:

tetranitromethane

4-cyano-N,N-dimethylaniline

hydrogenchloride

4-cyano-N-methylaniline

Downstream raw materials:

4-cyano-N-methylaniline

1-Methyl-1-(p-cyanophenyl)hydrazine

Refernces

• 1、 Shang, Yaping,Jonnada, Krishna,Yedage, Subhash Laxman,Tu, Hua,Zhang, Xiaofeng,Lou, Xin,Huang, Shijun,Su, Weiping. "Rhodium(iii)-catalyzed indole synthesis at room temperature using the transient oxidizing directing group strategy". supporting information. p. 9547 - 9550. Retrieved 2019/08/15.
• 2、 -. "Nitroxyl progenitor compounds and methods of use". Page/Page column 13-14. . Retrieved 2009/12/04.