Isobutyl radical

Base Information

• Chemical Name: Isobutyl radical
• CAS No.: 4630-45-9
• Molecular Formula: C25H31BrN4O4
• Molecular Weight: 57.1155
• DSSTox Substance ID: DTXSID60963546
• Nikkaji Number: J721.222D
• Mol file: 4630-45-9.mol

Synonyms:Isobutyl radical;4630-45-9;2-methylpropyl;iso-C4H9;DTXSID60963546

Chemical Property of Isobutyl radical

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 1.47650
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 57.070425287
• Heavy Atom Count: 4
• Complexity: 7.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)[CH2]

Technology Process of Isobutyl radical

There total 7 articles about Isobutyl radical 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:

C13H19O2 → 3,5-dimethylbenzoic acid (499-06-9) + isobutyl radical (4630-45-9)

Guidance literature:

In various solvent(s); at 26.84 ℃; Further Variations:; Temperatures; Kinetics;

DOI:10.1039/b104859g

Reference yield:

trichloromethyl radical (3170-80-7) + Isobutane (75-28-5,40921-86-6) → isobutyl radical (4630-45-9) + chloroform (67-66-3,8013-54-5)

Guidance literature:

at 26.9 ℃; solution rate constant for the reaction (k₂(solution) = 54 M^-1 s^-1);

DOI:10.1021/ja00302a020

Reference yield:

di-3-methylbutanoyl peroxide (1808-39-5) → isobutyl radical (4630-45-9) + 2,5-dimethylhexane (592-13-2) + isobutene (115-11-7,15220-85-6)

Guidance literature:

at -263.2 - -235.2 ℃; Irradiation;

DOI:10.1021/j150617a029

upstream raw materials:

methylene

Isobutane

trichloromethyl radical

di-3-methylbutanoyl peroxide

Downstream raw materials:

methyl radical

propene

2,5-dimethylhexane

Isobutane

Refernces

• 1、 Rice,Tweedell. "ON THE REMOVAL OF METALLIC MIRRORS BY FREE RADICALS.". . p. 995 - 997. Retrieved 2007/10/02.
• 2、 Dobe, S.,Boehland, T.,Temps, F.,Wagner, H. Gg.. "A Direct Study of the Reactions of CH2 (3B1)-Radicals with Selected Hydrocarbons in the Temperature Range 296 K . p. 432 - 441. Retrieved 2007/10/02.