Benzene, 1-(chloromethyl)-2-(1-methylethyl)-

Base Information

• Chemical Name: Benzene, 1-(chloromethyl)-2-(1-methylethyl)-
• CAS No.: 20034-71-3
• Molecular Formula: C10H13 Cl
• Molecular Weight: 168.666
• Hs Code.: 2903999090
• European Community (EC) Number: 243-475-1
• UNII: QP3AC43VX3
• DSSTox Substance ID: DTXSID3066550
• Nikkaji Number: J280.427A
• Wikidata: Q81993126
• Mol file: 20034-71-3.mol

Synonyms:20034-71-3;Benzene, 1-(chloromethyl)-2-(1-methylethyl)-;1-(CHLOROMETHYL)-2-ISOPROPYLBENZENE;o-(Chloromethyl)cumene;1-(chloromethyl)-2-propan-2-ylbenzene;EINECS 243-475-1;o-Isopropylbenzyl chloride;QP3AC43VX3;1-(Chloromethyl)-2-(propan-2-yl)benzene;Cymene, 7-chloro-;Benzene, (chloromethyl)(1-methylethyl)-;Chlormethylisopropylbenzol;2-isopropylbenzyl chloride;UNII-QP3AC43VX3;SCHEMBL893214;DTXSID3066550;AKOS006383604;(O-CHLOROMETHYL)ISOPROPYLBENZENE;WS-01870;FT-0710991;E72192;EN300-1104801;1-(CHLOROMETHYL)-2-(1-METHYLETHYL)BENZENE

Chemical Property of Benzene, 1-(chloromethyl)-2-(1-methylethyl)-

Chemical Property:

• Vapor Pressure: 0.2mmHg at 25°C
• Boiling Point: 216.9°Cat760mmHg
• Flash Point: 83.4°C
• PSA: 0.00000
• Density: 1.008g/cm³
• LogP: 3.54880
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 168.0705781
• Heavy Atom Count: 11
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

1-(chloromethyl)-2-isopropylbenzene 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1CCl

Technology Process of Benzene, 1-(chloromethyl)-2-(1-methylethyl)-

There total 13 articles about Benzene, 1-(chloromethyl)-2-(1-methylethyl)- 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: 87.0%

(2-isopropylphenyl)methanol (21190-34-1) → 1-(chloromethyl)-2-isopropylbenzene (20034-71-3)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 10h; Heating;

DOI:10.1021/ja00401a025

Reference yield: 5.5%

Isopropylbenzene (98-82-8) + chloromethyl methyl ether (107-30-2) → 1-(chloromethyl)-2-isopropylbenzene (20034-71-3)

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) + Isopropylbenzene (98-82-8) → 1-(chloromethyl)-2-isopropylbenzene (20034-71-3) + 4-isopropylbenzyl chloride (2051-18-5)

Guidance literature:

With hexadecylpyridinium bromide; sulfuric acid; sodium chloride; In water; at 80 ℃; for 4h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1055/s-1991-26630

upstream raw materials:

(2-isopropylphenyl)methanol

formaldehyd

Isopropylbenzene

ethyl 2-isopropylbenzoate

Downstream raw materials:

(2-isopropylphenyl)acetonitrile

(2-isopropylphenyl)methanol

2-Isopropyl-phenyl-essigsaeure-ethylester

diethyl 2-(2-isopropylphenyl)malonate