3,4-Dimethylbenzyl chloride

Base Information

• Chemical Name: 3,4-Dimethylbenzyl chloride
• CAS No.: 102-46-5
• Molecular Formula: C9H11Cl
• Molecular Weight: 154.639
• Hs Code.: 2903999090
• European Community (EC) Number: 203-032-5
• NSC Number: 62669
• DSSTox Substance ID: DTXSID4059251
• Nikkaji Number: J31.725J
• Wikidata: Q72469502
• Mol file: 102-46-5.mol

Synonyms:3,4-Dimethylbenzyl chloride;102-46-5;4-(Chloromethyl)-1,2-dimethylbenzene;Benzene, 4-(chloromethyl)-1,2-dimethyl-;Benzene, 1-(chloromethyl)-3,4-dimethyl-;4-(Chloromethyl)-o-xylene;4-(Chloromethyl)-1,2-DiMethyl-Benzene;3,4-dimethyl benzyl chloride;EINECS 203-032-5;NSC 62669;NSC62669;1-(Chloromethyl)-3,4-dimethylbenzene;4-(chlormethyl)-o-xylen;SCHEMBL540384;DTXSID4059251;3,4-DIMETHYLBENZYLCHLORIDE;1-chloromethyl-3,4-dimethylbenzene;4-chloromethyl-1,2-dimethyl-benzene;MFCD00000910;NSC-62669;STK503690;AKOS000268719;CS-W022009;4-(Chloromethyl)-1,2-dimethylbenzene #;AC-19498;AM20020094;D0290;FT-0614377;3,4-Dimethylbenzyl chloride (contains isomer);EN300-49222;A800575;W-108871;3,4-Dimethylbenzyl chloride - stabilized with Calcium carbonate

Chemical Property of 3,4-Dimethylbenzyl chloride

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.136mmHg at 25°C
• Melting Point: -62oC
• Refractive Index: n20/D 1.54(lit.)
• Boiling Point: 224.5 °C at 760 mmHg
• Flash Point: 87.7 °C
• PSA: 0.00000
• Density: 1.033 g/cm³
• LogP: 3.04220
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 154.0549280
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99.5% ^*data from raw suppliers

3,4-Dimethylbenzyl Chloride (contains isomer) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CCl)C

Technology Process of 3,4-Dimethylbenzyl chloride

There total 16 articles about 3,4-Dimethylbenzyl 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: 95.0%

3,4-dimethylbenzyl alcohol (6966-10-5) → 4-(chloromethyl)-1,2-dimethylbenzene (102-46-5)

Guidance literature:

With pyridine; thionyl chloride; In benzene; for 20h; Ambient temperature;

DOI:10.1007/BF00807400

Reference yield: 89.7%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + o-xylene (95-47-6) → 4-(chloromethyl)-1,2-dimethylbenzene (102-46-5)

Guidance literature:

With hydrogenchloride; sulfuric acid; cetyltrimethylammonim bromide; acetic acid; In water; at 45 ℃; for 4h; Micellar solution;

DOI:10.1007/BF03246036

Reference yield: 89.7%

o-xylene (95-47-6) + paracetaldehyde (123-63-7) → 4-(chloromethyl)-1,2-dimethylbenzene (102-46-5)

Guidance literature:

o-xylene; With sulfuric acid; cetyltrimethylammonim bromide; In water; acetic acid; at 20 ℃; for 2h; Micellar solution;

paracetaldehyde; With hydrogenchloride; In water; acetic acid; at 45 ℃; for 4h; Micellar solution;

DOI:10.1002/jccs.200900153

upstream raw materials:

formaldehyd

o-xylene

3,4-dimethylbenzyl alcohol

chloromethyl methyl ether

Downstream raw materials:

2-(3,4-Dimethylbenzyloxy)-3-methoxy-benzaldehyd

4-Hydroxy-4-methyl-5-(3,4-dimethyl-phenyl)-pentan-2-on

Benzyl-phosphonodithioic acid S-(3,4-dimethyl-benzyl) ester O-methyl ester

3,4-Dimethylbenzylcystein

Refernces

• 1、 Hu,Lu,Liu,Wei,Liu. "A highly efficient synthetic method for the preparation of 3,4-dimethylbenzaldehyde from o-xylene in aqueous media". . p. 487 - 494. Retrieved 2010.
• 2、 Wang, Yun,Xi, Yanli. "An experimental and theoretical study on imidazolium-based ionic liquid promoted chloromethylation of aromatic hydrocarbons". . p. 2196 - 2199. Retrieved 2014/03/21.
• 3、 Hu, Yu Lin,Lu, Ming,Ge, Qiang,Wang, Peng Cheng,Zhang, Sheng Bin,Lu, Ting Ting. "An inexpensive and convenient procedure for chloromethylation of aromatic hydrocarbons by phase transfer catalysis in aqueous media". experimental part. p. 97 - 102. Retrieved 2010/08/05.