1-Chloroethyl cyclohexyl carbonate Chemical Properties

Boiling point:

283.9±19.0 °C(Predicted)

Density 

1.13±0.1 g/cm3(Predicted)

refractive index 

1.4540-1.4580

Flash point:

84 °C

storage temp. 

2-8°C

solubility 

Chloroform (Sparingly), Ethyl Acetate, Methanol (Slightly)

form 

Oil

color 

Colourless

Stability:

Hygroscopic

InChI

InChI=1S/C9H15ClO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3

InChIKey

ONZWFHWHTYZZLM-UHFFFAOYSA-N

SMILES

C(OC1CCCCC1)(=O)OC(Cl)C

CAS DataBase Reference

99464-83-2(CAS DataBase Reference)

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

RIDADR 

1760

HS Code 

2915.90.5010

HazardClass 

8

PackingGroup 

II

1-Chloroethyl cyclohexyl carbonate Usage And Synthesis

Chemical Properties

Colorless or pale yellow liquid

Uses

1-Chloroethyl Cyclohexyl Carbonate is a genotoxic impurity used in the synthesis of Candesartan Cilexetil. an angiotensin II receptor antagonist.

Synthesis

1-chloroethyl chloroformate (1.99 g, 1.5 mL, 13.9 mmol) was reacted with cyclohexanol (1.33 g, 1.4 mL, 13.3 mmol) and pyridine (1.27 g, 1.3 mL, 16.1 mmol) in methylene chloride (11 mL) at ?78° C. for 3 h to give 1-chloroethyl cyclohexyl carbonate.

References

[1] Patent: US2008/125483, 2008, A1. Location in patent: Page/Page column 6-7
[2] Patent: WO2009/118580, 2009, A2. Location in patent: Page/Page column 17-18
[3] Patent: EP2526945, 2012, A1. Location in patent: Page/Page column 66
[4] Patent: WO2009/66917, 2009, A2. Location in patent: Page/Page column 17-18
[5] Patent: EP1477482, 2004, A1. Location in patent: Page 30

1-Chloroethyl cyclohexyl carbonate(99464-83-2)Related Product Information

• Diethyl carbonate
• 1-Iodoethyl cyclohexyl carbonate
• Propylene carbonate
• Barium carbonate
• Vinylene carbonate
• Dimethyl carbonate
• Chloromethyl isopropyl carbonate
• Ethylene carbonate
• Isocyanatocyclohexane
• Zinc carbonate
• Ammonium carbonate
• Sodium carbonate
• Polycarbonate
• Calcium carbonate
• Chloromethyl ethyl carbonate
• 1-Chloroethyl isopropyl carbonate
• Candesartan cilexetil
• 1-Chloroethyl ethyl carbonate