2,4-Di-t-butylchlorobenzene

Base Information

• Chemical Name: 2,4-Di-t-butylchlorobenzene
• CAS No.: 80438-65-9
• Molecular Formula: C14H21Cl
• Molecular Weight: 224.774
• DSSTox Substance ID: DTXSID90230319
• Wikidata: Q83110807
• Mol file: 80438-65-9.mol

Synonyms:2,4-Di-t-butylchlorobenzene;80438-65-9;2,4-Di-t-butyl chlorobenzene;SCHEMBL10610735;DTXSID90230319

Chemical Property of 2,4-Di-t-butylchlorobenzene

Chemical Property:

• Vapor Pressure: 0.0239mmHg at 25°C
• Boiling Point: 257.1°Cat760mmHg
• Flash Point: 128.6°C
• Density: 0.957g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 224.1331784
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)Cl)C(C)(C)C

Technology Process of 2,4-Di-t-butylchlorobenzene

There total 3 articles about 2,4-Di-t-butylchlorobenzene 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: 78.0%

chloroform (67-66-3,8013-54-5) + 1,3-di-tert-butylcyclopentadiene (73046-16-9) → 1-chloro-2,4-di-tert-butylbenzene (80438-65-9)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 4h; Ambient temperature;

DOI:10.1016/0040-4020(95)00119-S

Reference yield: 9.0%

chloroform (67-66-3,8013-54-5) + 1,3,5-tris(1,1-dimethylethyl)cyclopentadiene (125735-41-3) → 1-chloro-2,4-di-tert-butylbenzene (80438-65-9) + 1,2,4-tri-tert-butyl-5-chlorobenzene

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 4h; Ambient temperature;

DOI:10.1016/0040-4020(95)00119-S

Reference yield:

3,5-di-tert-butyl-2-chloroaniline (60375-76-0) → 1-chloro-2,4-di-tert-butylbenzene (80438-65-9)

Guidance literature:

With sodium hypophosphite; sulfuric acid; sodium nitrite; Yield given. Multistep reaction; 1.) glacial acetic acid, water; 2.) sulfuric acid, 48 h, 0 deg C;

upstream raw materials:

3,5-di-tert-butyl-2-chloroaniline

chloroform

1,3-di-tert-butylcyclopentadiene

1,3,5-tris(1,1-dimethylethyl)cyclopentadiene

Refernces

• 1、 Koning, Adrianus Jan de. "Derivatives of m-di-tert-butylbenzene. Part VI. The preparation of miscellaneous halogenated compounds". . p. 421 - 425. Retrieved 2007/10/02.