2-Chloro-1,3-dimethylbenzene Chemical Properties

Melting point:

-36 °C (lit.)

Boiling point:

182-183 °C (lit.)

Density 

1.061 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.527(lit.)

Flash point:

146 °F

storage temp. 

Sealed in dry,Room Temperature

form 

liquid

Specific Gravity

1.061

Appearance

Colorless to light yellow Liquid

Water Solubility 

Not miscible or difficult to mix with water.

BRN 

2040954

InChIKey

VDXLAYAQGYCQEO-UHFFFAOYSA-N

CAS DataBase Reference

6781-98-2(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 2-chloro-1,3-dimethyl-(6781-98-2)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21

Safety Statements 

26-36/37/39-36/37-23

RIDADR 

1993

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

2906290090

MSDS

• Language:English Provider:2-Chloro-1,3-dimethylbenzene
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2-Chloro-1,3-dimethylbenzene Usage And Synthesis

Chemical Properties

Clear colourless to light yellow liquid

Uses

It is employed as intermediate for pharmaceutical.

General Description

Suzuki coupling reaction of 2-chloro-1,3-dimethylbenzene with arylboronic acids has been investigated. 2-Chloro-1,3-dimethylbenzene undergoes palladium-catalyzed cyanation reaction to afford 2,6-dimethyl benzonitrile.

Synthesis

In a 1 L four-neck flask, 110.8 g of phenyl 2,6-dimethyl chloroformate (cas:876-99-3) was slowly added dropwise to the reaction system, followed by 110.8 g of anhydrous aluminum trichloride. The reaction system was warmed up to 80 °C and then 554 g (3.0 mol) of phenyl 2,6-dimethyl chloroformate was added. During the addition, the reaction was exothermic and the temperature of the system was gradually increased to 100~110 °C. The reaction temperature was maintained at 100~110°C, and the holding time was continued for 3.0 hours after the addition was completed. Samples were taken and analyzed during the reaction, and when the remaining amount of raw material was 15~17%, the target products 2,6-dimethylchlorobenzene and 2-chlorotoluene were generated in 40% each. After the reaction was completed, the vacuum of the system was adjusted to 20~25 mbar, and the fractions with boiling points of 80~85 °C were collected. Finally, 185 g of 2,6-dimethylchlorobenzene liquid product was obtained, which was analyzed by gas chromatography (GC) with 99.0% purity and 43.8% yield.

References

[1] Patent: CN108530297, 2018, A. Location in patent: Paragraph 0101; 0102

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