4-(tert-Butylazo)-4-cyanovaleric acid

Base Information

• Chemical Name: 4-(tert-Butylazo)-4-cyanovaleric acid
• CAS No.: 25149-50-2
• Molecular Formula: C10H17N3O2
• Molecular Weight: 211.26
• Hs Code.: 2927000090
• DSSTox Substance ID: DTXSID90885287
• Nikkaji Number: J422.154K
• Mol file: 25149-50-2.mol

Synonyms:25149-50-2;4-(tert-Butylazo)-4-cyanovaleric acid;4-Cyano-4-[(1,1-dimethylethyl)azo]pentanoic acid;Pentanoic acid, 4-cyano-4-((1,1-dimethylethyl)azo)-;Pentanoic acid, 4-cyano-4-(2-(1,1-dimethylethyl)diazenyl)-;Pentanoic acid, 4-cyano-4-[(1,1-dimethylethyl)azo]-;Pentanoic acid, 4-cyano-4-[2-(1,1-dimethylethyl)diazenyl]-;SCHEMBL3230838;DTXSID90885287;4-t-Butylazo-4-cyanovaleric Acid;4-(t-butylazo)-4-cyanopentanoic acid

Chemical Property of 4-(tert-Butylazo)-4-cyanovaleric acid

Chemical Property:

• Vapor Pressure: 3.63E-05mmHg at 25°C
• Boiling Point: 328.9°C at 760 mmHg
• Flash Point: 152.7°C
• PSA: 85.81000
• Density: 1.04g/cm³
• LogP: 2.38418
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 211.132076794
• Heavy Atom Count: 15
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CC(C)(C)N=NC(C)(CCC(=O)O)C#N

Technology Process of 4-(tert-Butylazo)-4-cyanovaleric acid

There total 4 articles about 4-(tert-Butylazo)-4-cyanovaleric acid 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: 70.0%

4-tert-butyl-hydrazino-4-cyanovaleric acid (864182-67-2) → 4-tert-butylazo-4-cyanovaleric acid (25149-50-2)

Guidance literature:

With sodium hydroxide; chlorine; at 5 - 10 ℃;

DOI:10.1021/ma048063f

Reference yield: 66.0%

sodium cyanide (773837-37-9) + tertbutylhydrazine hydrochloride (7400-27-3) + levulinic acid (123-76-2) → 4-tert-butylazo-4-cyanovaleric acid (25149-50-2)

Guidance literature:

sodium cyanide; tertbutylhydrazine hydrochloride; In water; for 0.333333h; pH=7;

levulinic acid; With sodium carbonate; In water; for 43h; pH=7;

DOI:10.1007/s00706-011-0459-9

Reference yield:

levulinic acid (123-76-2) → 4-tert-butylazo-4-cyanovaleric acid (25149-50-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / H₂O / 20 °C

2: 70 percent / aq. NaOH; Cl₂ / 5 - 10 °C

With sodium hydroxide; water; chlorine;

DOI:10.1021/ma048063f

upstream raw materials:

4-tert-butyl-hydrazino-4-cyanovaleric acid

levulinic acid

sodium cyanide

tertbutylhydrazine hydrochloride

Refernces

• 1、 Bruzzano, Stefano,Sieverling, Nathalie,Wieland, Christoph,Jaeger, Werner,Thuenemann, Andreas F.,Springer, Juergen. "Cationic polymer grafted starch from nonsymmetrically substituted macroinitiators". . p. 7251 - 7261. Retrieved 2005.