2-Chloro-1,3-dimethylbenzene

Base Information

• Chemical Name: 2-Chloro-1,3-dimethylbenzene
• CAS No.: 6781-98-2
• Molecular Formula: C8H9Cl
• Molecular Weight: 140.612
• Hs Code.: 2903999090
• European Community (EC) Number: 229-843-4
• DSSTox Substance ID: DTXSID40218061
• Nikkaji Number: J110.548E
• Wikidata: Q72518656
• Mol file: 6781-98-2.mol

Synonyms:1-chloro-2,6-dimethylbenzene;1-Cl-DMB

Chemical Property of 2-Chloro-1,3-dimethylbenzene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 0.931mmHg at 25°C
• Melting Point: ?36 °C(lit.)
• Refractive Index: n20/D 1.527(lit.)
• Boiling Point: 186 °C at 760 mmHg
• Flash Point: 63.3 °C
• PSA: 0.00000
• Density: 1.049 g/cm³
• LogP: 2.95680
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Not miscible or difficult to mix with water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 140.0392780
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-1,3-dimethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21
• Safety Statements: 26-36/37/39-36/37-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)Cl
• Uses: It is employed as intermediate for pharmaceutical.

Technology Process of 2-Chloro-1,3-dimethylbenzene

There total 19 articles about 2-Chloro-1,3-dimethylbenzene 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: 99.0%

2-Bromo-m-xylene (576-22-7) → 2,6-dimethyl-1-chlorobenzene (6781-98-2)

Guidance literature:

With nickel dichloride; In N,N-dimethyl-formamide; at 170 ℃; for 0.0833333h; microwave irradiation;

DOI:10.1055/s-2003-39887

Reference yield: 97.0%

2,6-dimethylphenyl chloroformic acid ester (876-99-3) → 2,6-dimethyl-1-chlorobenzene (6781-98-2)

Guidance literature:

With aluminum (III) chloride; at 190 ℃; Reagent/catalyst; Temperature; Large scale;

Reference yield: 94.0%

2,6-dimethylbenzene boronic acid (100379-00-8) → 2,6-dimethyl-1-chlorobenzene (6781-98-2)

Guidance literature:

With N-chloro-succinimide; copper(l) chloride; In acetonitrile; at 80 ℃; for 7h;

DOI:10.1021/0l9029337

upstream raw materials:

m-xylene

2,6-dimethylaniline

chloroform

4-Chloro-1,2-dimethylcyclopentene

Downstream raw materials:

(E)-3-(2,6-dimethylphenyl)-2-methyl acrylic acid methyl ester

1,3-dimethyl-2-[(E)-2-phenyl-1-ethenyl]benzene

2.6-dimethylphenol

2-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzene

Refernces

• 1、 -. "2 - Chloro -3 - methyl benzoic acid and intermediate preparation method (by machine translation)". Paragraph 0079; 0085; 0098; 0100. . Retrieved 2018/10/11.
• 2、 Knorr, Rudolf,Menke, Thomas,Hennig, Karsten-Olaf,Freudenreich, Johannes,B?hrer, Petra,Schubert, Bernhard. "Ring expansion and vinylic nucleophilic substitution competing for (tert-alkyl)2CC(Li)-Cl in carbenoid chain processes". . p. 2703 - 2710. Retrieved 2014/04/17.