ChemicalBook--->CAS DataBase List--->98298-66-9

98298-66-9

98298-66-9 Structure

98298-66-9 Structure
IdentificationMore
[Name]

1-Chloroethyl isopropyl carbonate
[CAS]

98298-66-9
[Synonyms]

1-CHLOROETHYL ISOPROPYL CARBONATE
CARBONIC ACID 1-CHLOROETHYL ISOPROPYL ESTER
JCC-1
1-CHLOROETHYL ISOPROPYL CARBONATE (JCC-1)(INTERMEDIATE OF CEFPODOXIME PROXETIL (BANAN))
1-chloroethyl isopropyl carbonate (intermediate of cefpodoxime proxetil)
1-Chloroethyl Isopropyl Carbonate (JCC-1)
1 CHLORO ETHYL ISPPROPYL CARBONATE (CEIC)
Carbonic acid, 1-chloroethyl-, 1-methyl-, ethyl ester
1-Chloroethyl lsopropyl Carbonate
[EINECS(EC#)]

424-590-8
[Molecular Formula]

C6H11ClO3
[MDL Number]

MFCD04038100
[Molecular Weight]

166.6
[MOL File]

98298-66-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

70 °C / 15mmHg
[density ]

1.113±0.06 g/cm3(Predicted)
[refractive index ]

1.4110-1.4150
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[InChI]

InChI=1S/C6H11ClO3/c1-4(2)9-6(8)10-5(3)7/h4-5H,1-3H3
[InChIKey]

XPTPAIJDVFQPJT-UHFFFAOYSA-N
[SMILES]

C(OC(C)C)(=O)OC(Cl)C
[LogP]

1.37 at 20℃
[CAS DataBase Reference]

98298-66-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)
GHS02,GHS05
[Signal word ]

Danger
[Hazard statements ]

H226-H314
[Precautionary statements ]

P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
[Risk Statements ]

R10:Flammable.
R34:Causes burns.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2920
[HS Code ]

2915.90.5010
[REACH Registrations]

Active
[HazardClass ]

8/3
[PackingGroup ]

II
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Chloroethyl chloroformate-->Isopropyl alcohol-->Pyridine-->Dichloromethane
[Preparation Products]

Cefpodoxime proxetil
Hazard InformationBack Directory
[Uses]

1-Chloroethyl Isopropyl-d7 Carbonate is an intermediate in the synthesis of Cefpodoxime Proxetil-d7 (C243862). Cefpodoxime Proxetil-d7 is the labelled form of Cefpodoxime Proxetil (C243860), an antibacterial. Cefpodoxime Proxetil is a broad spectrum, orally absorbed third generation cephalosporin, ester prodrug of the active free acid metabolite, Cefpodoxime (C243850).
[Synthesis]

To a solution of 2-propanol (2.66 mL, 34.97 mmol) and pyridine (3.39 mL, 41.96 mmol), pre-cooled in a dry-ice/acetone bath was slowly added 1-chloroethyl chloroformate. The resulting mixture was allowed to slowly warm to 25° C. overnight, with stirring. After concentration under reduced pressure, the mixture was dissolved in ethyl acetate. The organic layer was washed with brine, dried over sodium sulfate, filtered and concentrated under reduced pressure to give 1-chloroethyl isopropyl carbonate as a pink/orange oil (5.11 g, 88% yield).
[References]

[1] Patent: WO2018/53215, 2018, A1. Location in patent: Page/Page column 135
[2] Patent: WO2005/123693, 2005, A1. Location in patent: Page/Page column 66
[3] Patent: US2009/36505, 2009, A1. Location in patent: Page/Page column 11-12
[4] Patent: CN106467474, 2017, A. Location in patent: Paragraph 0069; 0070; 0071; 0072
[5] Patent: WO2009/66917, 2009, A2. Location in patent: Page/Page column 16-17
Spectrum DetailBack Directory
[Spectrum Detail]

1-Chloroethyl isopropyl carbonate(98298-66-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

1-Chloroethyl Isopropyl Carbonate,>98.0%(GC)(98298-66-9)
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