2,5-Dimethylbenzyl chloride

Base Information

• Chemical Name: 2,5-Dimethylbenzyl chloride
• CAS No.: 824-45-3
• Molecular Formula: C9H11Cl
• Molecular Weight: 154.639
• Hs Code.: 29039990
• European Community (EC) Number: 212-529-6
• NSC Number: 133437
• DSSTox Substance ID: DTXSID4061177
• Nikkaji Number: J31.727F
• Wikidata: Q72469492
• Mol file: 824-45-3.mol

Synonyms:2,5-Dimethylbenzyl chloride;824-45-3;2-(Chloromethyl)-1,4-dimethylbenzene;1-Chloromethyl-2,5-dimethylbenzene;2-Chloromethyl-p-xylene;2,5-dimethylbenzylchloride;Benzene, 2-(chloromethyl)-1,4-dimethyl-;2.5-Dimethylbenzyl chloride;EINECS 212-529-6;NSC 133437;AI3-15520;2-(Chloromethyl)-1,4-DiMethyl-Benzene;NSC133437;2.5-dimethylbenzylchloride;2,5-dimethyl-benzylchloride;2,5-dimethylbenzyl-chloride;SCHEMBL1030033;DTXSID4061177;2-chloromethyl-1,4-dimethylbenzene;2,5-Dimethylbenzyl chloride, 98%;MFCD00000902;STK503648;1,4-Dimethyl-2-(chloromethyl)benzene;AKOS000121567;NSC-133437;2-(Chloromethyl)-1,4-dimethylbenzene #;LS-02186;D2716;FT-0610464;EN300-17615;J-640270;J-800262;Z56969302;F2190-0262

Chemical Property of 2,5-Dimethylbenzyl chloride

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.00268mmHg at 25°C
• Melting Point: -43.35°C (estimate)
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 220.9 °C at 760 mmHg
• Flash Point: 65.6 °C
• PSA: 0.00000
• Density: 1.033 g/cm³
• LogP: 3.04220
• Water Solubility.: insoluble
• 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% ^*data from raw suppliers

2,5-Dimethylbenzyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 23-26-27-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,5-Dimethylbenzyl chloride

There total 18 articles about 2,5-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: 100.0%

2,5-dimethylbenzyl alcohol (53957-33-8) → 2,5-dimethylbenzyl chloride (824-45-3)

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; at 0 ℃; for 14h; Inert atmosphere;

DOI:10.1002/chem.201704684

Reference yield: 97.25%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + para-xylene (106-42-3) → 2,5-dimethylbenzyl chloride (824-45-3)

Guidance literature:

formaldehyd; With hydrogenchloride; at 2 - 50 ℃;

para-xylene; at 2 - 80 ℃;

Reference yield: 49.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + para-xylene (106-42-3) → 2,5-bis(chloromethyl)-p-xylene (6298-72-2) + 2,5-dimethylbenzyl chloride (824-45-3)

Guidance literature:

With hydrogenchloride; 1-ethyl-3-methylimidazolium hexafluorophosphate; at 70 ℃; for 5h; Ionic liquid;

DOI:10.4067/S0717-97072013000400063

upstream raw materials:

formaldehyd

para-xylene

chloromethyl methyl ether

acetic acid

Downstream raw materials:

2,5-dimethylbenzaldehyde

N-acetyl-2-ethoxycarbonyl-3-(2,5-dimethylphenyl)-α-alanine ethyl ester

2-[1-(2,5-Dimethyl-benzyl)-5-methyl-1H-indol-3-yl]-ethylamine

2-<1-(2,5-dimethylbenzyl)indol-3-yl>propylamine

Refernces

• 1、 -. "Method for preparing 2, 5-dimethylphenylacetyl chloride". Paragraph 0040-0042; 0049-0051; 0058-0059; 0066-0067. . Retrieved 2020/05/08.
• 2、 -. "METHOD FOR PREPARING 2,5-DIMETHYLPHENYLACETIC ACID". Paragraph 0036; 0037. . Retrieved 2013/03/26.