Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate | CAS No. 162204-30-0

Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate

Basic Information

CAS Number

162204-30-0

Molecular Formula

C15H22FN3O6

Molecular Weight

359.35 g/mol

AD

Basic Physical Properties

Melting Point

106-109°C

CC1C(C(C(O1)N2C=C(C(=NC2=O)NC(=O)OCCC(C)C)F)O)O

InChI

InChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1

InChIKey

PPVCPOIDSSQXMR-UORFTKCHSA-N

LogP

0.6160999999999999

Topological Polar Surface Area

122.91 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

594

Synonyms & References

English

  • DTXSID50167334
  • 3-methylbutyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate
  • (5'-DEOXY-5-FLUORO-N4-(3-METHYL-1-BUTYLOXYCARBONYL)CYTIDINE)
  • CARBAMIC ACID, (1-(5-DEOXY-.BETA.-D-RIBOFURANOSYL)-5-FLUORO-1,2-DIHYDRO-2-OXO-4-PYRIMIDINYL)-, 3-METHYLBUTYL ESTER
  • A899353
  • Isopentyl(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
  • CYTIDINE, 5'-DEOXY-5-FLUORO-N-((3-METHYLBUTOXY)CARBONYL)-
  • SCHEMBL284973
  • 5'-Deoxy-5-fluoro-N4-(3-methyl-1-butyloxycarbonyl)cytidine
  • Cytidine, 5'-deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]-
  • Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
  • Q27289796
  • CHEMBL2041684
  • UNII-T83E758HO7
  • 3-methylbutyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
  • F19397
  • T83E758HO7
  • AS-80468
  • 5'-Deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]cytidine
  • 3-Methylbutyl [1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate
  • 5'-deoxy-5-fluoro-n4-(isopentyloxycarbonyl)cytidine;5'-deoxy-5-fluoro-n-((3-methylbutoxy)carbonyl)cytidine
  • Capecitabine impurity F
  • AKOS016008206
  • 5'-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine
  • 162204-30-0
  • 5?-Deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]cytidine
  • BCP0008240
  • Cytidine,5'-deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]- (9CI)
  • 5'-deoxy-5-fluoro-N4-(3-methyl-1-butyloxycarbonyl)cytidine
  • Capecitabine iMpurity F
  • Capecitabine EP Impurity E

MDL Number

MFCD00930630

FAQ

What are the physical and chemical properties of Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate (CAS: 162204-30-0)?

Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate is a white to off-white crystalline solid with a molecular weight of approximately 394.31 g/mol. It is poorly soluble in water but soluble in organic solvents such as methanol and ethanol. The compound is relatively stable but can react with strong acids or bases.

How is Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate (CAS: 162204-30-0) typically synthesized?

Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate is synthesized through a multi-step process involving the condensation of an isopentyl amine with a 2-oxo-1,2-dihydropyrimidine derivative, followed by cyclization and fluorination. Common catalysts include palladium and other transition metals.

What industries use Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate (CAS: 162204-30-0)?

Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate is used in the pharmaceutical industry for the development of novel drugs. It also finds applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate (CAS: 162204-30-0)?

When handling Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. In case of spill, neutralize with a suitable reagent and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information on safe handling and storage.

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