| Identification | More | [Name]
1-Chloroethyl cyclohexyl carbonate | [CAS]
99464-83-2 | [Synonyms]
1-CHLOROETHYL CYCLOHEXYL CARBONATE
CARBONIC ACID 1-CHLOROETHYL CYCLOHEXYL ESTER
CYCLOHEXYL 1-CHLOROETHYLCARBONATE
1-chloroethylcyclohexyl carbonate (intermediate of candesartan cilexetil)
1-chloroethyl cyclohexyl carbonate (JCC-2)
ChloroethylCyclohexylCarbonate | [EINECS(EC#)]
444-950-8 | [Molecular Formula]
C9H15ClO3 | [MDL Number]
MFCD04038149 | [Molecular Weight]
206.67 | [MOL File]
99464-83-2.mol |
| Chemical Properties | Back Directory | [Boiling point ]
283.9±19.0 °C(Predicted) | [density ]
1.13±0.1 g/cm3(Predicted) | [refractive index ]
1.4540-1.4580 | [Fp ]
84 °C | [storage temp. ]
Sealed in dry,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) |
| Hazard Information | Back Directory | [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 |
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