162204-20-8

162204-20-8 - Names and Identifiers

Name	5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2',3'-diacetate
Synonyms	Capecitabine interMediate Capecitabine Intermediate 1 2',3'-Di-O-acetylcapecitabine 5-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2,3-diacetate 5'-Deoxy-5-fluoro-N-(pentyloxy)carbonyl]cytidine 2',3'-diacetate 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2',3'-diacetate 5'-deoxy-5-fluore-N-[(pentoyloxy)carbonyl]cytidine 2',3'-diacetate 5`-deoxy-5-fluore-N-[(pentoyloxy)carbonyl]cytidine 2`,3`-diacetate 5`-Deoxy-5-Fluore-N-[(Pentoyloxy)Carbonyl]Cytidine 2`,3`-Diacetate Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2',3'-diacetate, 5'- Cytidine,5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-, 2',3'-diacetate [1-(2,3-Di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyriMidinyl]carbaMic Acid Pentyl Ester
CAS	162204-20-8
EINECS	700-593-2
InChI	InChI=1/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1

162204-20-8 - Physico-chemical Properties

Molecular Formula	C19H26FN3O8
Molar Mass	443.42
Density	1.40±0.1 g/cm3(Predicted)
Melting Point	100-102?C
Solubility	soluble in Methanol
Appearance	powder to crystal
Color	White to Almost white
pKa	5.36±0.40(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.566
Use	Capecitabine Intermediate

162204-20-8 - Risk and Safety

Safety Description	24/25 - Avoid contact with skin and eyes.
HS Code	29349990

162204-20-8 - Reference Information

overview

5 '-deoxy-5-fluoro-N-[(pentoxy) carbonyl] cytidine 2',3 '-diacetate CAS number 62204-20-8, chemical formula C19H26FN3O8, molecular weight 443.42300, density 1.4g/cm3, refractive index 1.566. 5 '-deoxy-5-fluoro-N-[(pentoxy) carbonyl] cytidine 2',3 '-diacetate is a key intermediate in the synthesis of capecitabine, capecitabine (Capecitabine), chemical name: 5'-deoxy-5-fluoro-N-[(pentoxy) carbonyl] cytidine, developed by Swiss Roche Pharmaceutical Company (roche), in April 1998, Xeloda was approved for listing in the United States under the trade name Xeloda. In 2000, it was approved for import by SFDA, and the listed dosage form was tablets.

synthesis method

method 1:2 ',3'-di-O-acetyl -5 '-deoxy-5-fluoro-N-(n-amyl oxycarbonyl) cytidine (ie 5'-deoxy-5-fluoro-N-[(pentoxyl) carbonyl] cytidine 2 ',3'-diacetate) is prepared as follows: 2 ',3'-di-O-acetyl -5 '-deoxy-5-fluorocytidine is used as raw material, in the presence of any organic solvent and alkalizing agent in dichloromethane, dichloroethane, acetonitrile, N,N-dimethylformamide, acylation reaction with n-amyl chloroformate to generate 2',3 '-di-O-acetyl -5'-deoxy-5-fluoro-N-(n-pentyloxycarbonyl) cytidine; add water to extract and merge the organic phase; concentrate the organic phase under reduced pressure until the distillate flows out, add isopropyl ether and acetonitrile to the oil, after all dissolution at room temperature, slowly cool to 0~5 ℃ and then crystallide to obtain white powder 2 ',3'-di-O-acetyl -5 '-deoxy-5-fluoro-N-(n-pentyloxycarbonyl) cytidine (I. e. 5'-deoxy-5-fluoro-N-[(pentoxyl) carbonyl] cytidine 2 ',3'-diacetate), the reaction process is as follows:

Last Update：2024-04-09 21:04:16