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1-Chloroethyl isopropyl carbonate

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1-Chloroethyl isopropyl carbonate Basic information

Product Name:
1-Chloroethyl isopropyl carbonate
Synonyms:
  • 1-CHLOROETHYL ISOPROPYL CARBONATE
  • CARBONIC ACID 1-CHLOROETHYL ISOPROPYL ESTER
  • JCC-1
  • 1-Chloroethyl Isopropyl Carbonate (JCC-1)
  • 1 CHLORO ETHYL ISPPROPYL CARBONATE (CEIC)
  • Carbonic acid, 1-chloroethyl-, 1-methyl-, ethyl ester
  • 1-Chloroethyl lsopropyl Carbonate
  • 1-Chloroethyl Isopropyl Carbonate, 98.0%(GC)
CAS:
98298-66-9
MF:
C6H11ClO3
MW:
166.6
EINECS:
424-590-8
Product Categories:
  • CARBONATES
  • (intermediate of cefpodoxime proxetil)
  • bc0001
Mol File:
98298-66-9.mol
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1-Chloroethyl isopropyl carbonate Chemical Properties

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)
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Safety Information

Risk Statements 
10-34
Safety Statements 
16-36/37/39
RIDADR 
2920
HS Code 
2915.90.5010
HazardClass 
8/3
PackingGroup 
II
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1-Chloroethyl isopropyl carbonate Usage And Synthesis

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).
1-Chloroethyl isopropyl carbonate is an efficient and mild reagent for removing benzyl protecting groups, especially for compounds containing functional groups that are easily reduced.

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).

1-Chloroethyl isopropyl carbonate Preparation Products And Raw materials

Preparation Products

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