1-Chloroethyl (4-nitrophenyl) carbonate

CAS NO.：101623-69-2
Empirical Formula: C9H8ClNO5
Molecular Weight: 245.62
MDL number: MFCD19441847
SAFETY DATA SHEET (SDS)
Update Date: 2023-12-28 18:13:10

What is 1-Chloroethyl (4-nitrophenyl) carbonate?

The Uses of 1-Chloroethyl (4-nitrophenyl) carbonate

A clear, colourless to pale yellow liquid used as an intermediate in Gabapentin, an API.

Synthesis

To an ice cold reaction mixture containing p-nitrophenol (1.39 g, 10 mmol) and pyridine (0.81 g, 10 mmol) in dichloromethane (60 mL) was added 1-chloroethyl chloroformate (1.2 mL, 11 mmol). The mixture was stirred at 0° C for 30 min and then at room temperature for 1 hour. After removing the solvent under reduced pressure, the residue was dissolved in ether, washed with water, 10percent citric acid and water. The ether layer was dried over Na2SO4and evaporated under reduced pressure to give 2.4 g (97percent) of 1-Chloroethyl (4-nitrophenyl) carbonate as an off-white solid.
Carbonic acid 4-nitro-phenyl ester 1-chloro-ethyl ester

Properties of 1-Chloroethyl (4-nitrophenyl) carbonate

Melting point:	71.0-71.7 °C(Solv: hexane (110-54-3))
Boiling point:	359.1±42.0 °C(Predicted)
Density	1.415±0.06 g/cm3(Predicted)
storage temp.	2-8°C

Safety information for 1-Chloroethyl (4-nitrophenyl) carbonate

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.