1-tert-Butyl-4-(1-chloroethyl)benzene

Base Information

• Chemical Name: 1-tert-Butyl-4-(1-chloroethyl)benzene
• CAS No.: 13372-41-3
• Molecular Formula: C12H17Cl
• Molecular Weight: 196.72
• DSSTox Substance ID: DTXSID60560630
• Nikkaji Number: J647.469A
• Mol file: 13372-41-3.mol

Synonyms:1-tert-Butyl-4-(1-chloroethyl)benzene;13372-41-3;SCHEMBL8955877;DTXSID60560630;CVOBIOVONMMYGZ-UHFFFAOYSA-N;MFCD11186417;AKOS000321776;AKOS017258654;4-tert.-butyl-alpha-methylbenzyl chloride;EN300-209072

Chemical Property of 1-tert-Butyl-4-(1-chloroethyl)benzene

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 196.1018782
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-tert-Butyl-4-(1-chloroethyl)benzene

There total 3 articles about 1-tert-Butyl-4-(1-chloroethyl)benzene 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: 86.0%

4-tert-Butylstyrene (1746-23-2,26009-55-2) → 1-(tert-butyl)-4-(1-chloroethyl)benzene (13372-41-3)

Guidance literature:

With hydrogenchloride; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; acetic acid; at 20 ℃; regioselective reaction;

DOI:10.1039/c7gc03665e

Reference yield:

1-(4-tert-butylphenyl)ethanol (101325-12-6,101325-14-8,119479-30-0,34386-42-0) → 1-(tert-butyl)-4-(1-chloroethyl)benzene (13372-41-3)

Guidance literature:

With hydrogenchloride; calcium chloride; In diethyl ether;

DOI:10.1246/bcsj.48.3337

Reference yield:

1-(4-tert-butylphenyl)ethanol (101325-12-6,101325-14-8,119479-30-0,34386-42-0) + 3-chloroprop-1-ene (107-05-1) → 1-(1-dimethylethyl)-4-(4-pentenyl)benzene + 1-(tert-butyl)-4-(1-chloroethyl)benzene (13372-41-3)

Guidance literature:

With thionyl chloride; In toluene;

upstream raw materials:

1-(4-tert-butylphenyl)ethanol

4-tert-Butylstyrene

3-chloroprop-1-ene

Downstream raw materials:

p-tert.-Butyl-β-methyl-hydrozimtsaeure

1,1-Dichlor-3-(p-tert.-butyl-phenyl)-buten-⁽¹⁾

1-(4-tert-butylphenyl)ethanol

<4-tert.-Butyl-α-methylbenzyl>-methyl-ether