252742-72-6 5-Chloromethyl-2H-1,2,4-triazolin-3-one

5-Chloromethyl-2H-1,2,4-triazolin-3-one Basic information

Product Name:	5-Chloromethyl-2H-1,2,4-triazolin-3-one
Synonyms:	5-CHLOROMETHYL-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE;3-Chloromethyl-1,2,4-triazol-5-one;3-Chloromethyl-1,2,4-triazolin-5-one;3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one;3-(chloroMethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one;5-(CHLOORMETHYL)-1,2-DIHYDRO-3H-1,2,4-TRIAZOOL-3-ON;5-Chloromethyl-2,4-Dithydro-[1,2,4]Triazol-3-One;Aprepitant Impurity 51
CAS:	252742-72-6
MF:	C3H4ClN3O
MW:	133.54
EINECS:	607-678-2
Product Categories:	pharmacetical
Mol File:	252742-72-6.mol

5-Chloromethyl-2H-1,2,4-triazolin-3-one Chemical Properties

Melting point	199°C(lit.)
density	1.83±0.1 g/cm3(Predicted)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
solubility	soluble in Methanol
form	powder to crystal
pka	7.46±0.20(Predicted)
color	White to Almost white
CAS DataBase Reference	252742-72-6

Safety Information

MSDS Information

5-Chloromethyl-2H-1,2,4-triazolin-3-one Usage And Synthesis

Uses	5-Chloromethyl-2H-1,2,4-triazolin-3-one is an intermediate used in the synthesis of Aprepitant (A729800) and Fosaprepitant, used as antiemetic drugs.
Application	3-Chloromethyl-1,2,4-triazolin-5-one is an intermediate in organic synthesis and pharmaceutical intermediate, which can be used in laboratory R&D synthesis process and chemical biological R&D process.

5-Chloromethyl-2H-1,2,4-triazolin-3-one Preparation Products And Raw materials

Raw materials	5-(hydroxymethyl)-1,2-dihydro-1,2,4-triazol-3-one-->2-chloro-1-ethoxy-ethanimine-->1,1,1-Trimethoxy-2-chloroethane-->Methyl 2-chloroacetiMidate hydrochloride-->Semicarbazide hydrochloride
Preparation Products	(R,R,R)-Aprepitant