5-Chloro-2-methylbenzoxazole Chemical Properties

Melting point:

55-57 °C(lit.)

Boiling point:

218-220 °C(lit.)

Density 

1.2295 (rough estimate)

refractive index 

1.5430 (estimate)

storage temp. 

Sealed in dry,2-8°C

pka

-0.45±0.10(Predicted)

form 

powder to crystal

color 

White to Gray to Brown

InChI

InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

InChIKey

XVQGFGKAPKEUFT-UHFFFAOYSA-N

SMILES

O1C2=CC=C(Cl)C=C2N=C1C

CAS DataBase Reference

19219-99-9(CAS DataBase Reference)

EPA Substance Registry System

Benzoxazole, 5-chloro-2-methyl- (19219-99-9)

Safety Information

Hazard Codes 

C,Xi

Risk Statements 

20/21/22-34-36/37/38-37/38-36

Safety Statements 

26-27-36/37/39-45-36/39

RIDADR 

UN 1759 8/PG 2

WGK Germany 

3

RTECS 

DM4790000

HazardClass 

8

PackingGroup 

III

HS Code 

29349990

MSDS

• Language:English Provider:5-Chloro-2-methylbenzoxazole
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• Language:English Provider:SigmaAldrich

5-Chloro-2-methylbenzoxazole Usage And Synthesis

Chemical Properties

BEIGE CRYSTALLINE CHUNKS

Synthesis

General procedure for the synthesis of 2-methyl-5-chlorobenzoxazole from the compound (CAS: 1019187-32-6) as starting material: to a stirring solution of o-hydroxyaryl N-H ketoimine 1 (1 mmol) in solvent (2 mL) were added sequentially additives (if applicable, 0.2-1.0 mmol) and iodobenzene diacetate (PhI(OAc)2, 1.1-2.0 mmol). The reaction mixture was stirred at room temperature for 30 min before the solvent was removed by distillation under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: pentane/ethyl acetate, 30-100:1, v/v) to afford the target product 2-methyl-5-chlorobenzoxazole.

References

[1] Tetrahedron, 2015, vol. 71, # 4, p. 700 - 708
[2] Patent: CN103951631, 2017, B. Location in patent: Paragraph 0044; 0046; 0047

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