2-tert-Butylbenzyl chloride

Base Information

• Chemical Name: 2-tert-Butylbenzyl chloride
• CAS No.: 56240-38-1
• Molecular Formula: C11H15 Cl
• Molecular Weight: 182.693
• DSSTox Substance ID: DTXSID6069088
• Nikkaji Number: J429.312F
• Wikidata: Q81995884

Synonyms:2-tert-Butylbenzyl chloride;56240-38-1;1-tert-butyl-2-(chloromethyl)benzene;o-tert-Butylbenzylchloride;1-(CHLOROMETHYL)-2-TERT-BUTYL-BENZENE;Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-;SCHEMBL4574280;DTXSID6069088;AKOS017514615;1-(Chloromethyl)-2-(1,1-dimethylethyl)benzene;EN300-1982091

Chemical Property of 2-tert-Butylbenzyl chloride

Chemical Property:

• Vapor Pressure: 0.101mmHg at 25°C
• Boiling Point: 230.2°C at 760 mmHg
• Flash Point: 89.6°C
• PSA: 0.00000
• Density: 0.993g/cm³
• LogP: 3.72290
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Hexanes (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 182.0862282
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=CC=C1CCl
• Uses: o-tert-Butyl-α-chlorotoluene is a useful research reagent for the competitive chloromethylation of alkylbenzenes.

Technology Process of 2-tert-Butylbenzyl chloride

There total 2 articles about 2-tert-Butylbenzyl chloride 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: 2.5%

tert-butylbenzene (253185-03-4,253185-04-5) + chloromethyl methyl ether (107-30-2) → o-t-Butylbenzylchlorid (56240-38-1)

Guidance literature:

tin(IV) chloride; In chloroform;

DOI:10.1016/S0040-4039(01)91062-7

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + tert-butylbenzene (253185-03-4,253185-04-5) → o-t-Butylbenzylchlorid (56240-38-1) + 4-tert-butylbenzyl chloride (19692-45-6)

Guidance literature:

With hydrogenchloride; sulfuric acid; acetic acid; zinc(II) chloride; In water; at 50 ℃; for 8h;

DOI:10.4067/S0717-97072010000100023

Reference yield:

o-t-Butylbenzylchlorid (56240-38-1) → 2-tert.-Butyl-phenyl-essigsaeure-ethylester (69574-22-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, (ii) /BRN= 1900390/

2: H₂SO₄ / Heating

With sulfuric acid;

upstream raw materials:

tert-butylbenzene

chloromethyl methyl ether

formaldehyd

Downstream raw materials:

2-tert.-Butyl-phenyl-essigsaeure

2-tert.-Butyl-benzylcyanid

1,2-di(tert-butylphenyl)ethane

(tert-butylphenyl)methyl alcohol

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 56240-38-1 1-(chloromethyl)-2-tert-butyl-benzene

Send

Send

Metric Ton KG G Pound L ML

Send

Send