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99464-83-2

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99464-83-2 Structure

99464-83-2 Structure
IdentificationMore
[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 PropertiesBack 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)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

1760
[HS Code ]

2915.90.5010
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cyclohexyl chloroformate-->Cyclohexanol-->Acetaldehyde-->1-Chloroethyl chloroformate-->Diphosgene-->Pyridine-->Paraldehyde-->Dichloromethane
[Preparation Products]

Trityl candesartan cilexetil
Hazard InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

1-Chloroethyl cyclohexyl carbonate(99464-83-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

1-Chloroethyl Cyclohexyl Carbonate,>98.0%(GC)(99464-83-2)
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