(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

Basic Information

View in Editor

CAS Number

147027-10-9

Molecular Formula

C18H27N3O4S

Molecular Weight

381.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

203-210°C

Boiling Point

524.954°C at 760 mmHg

SMILES

View in Editor

CC1CCC(C(C1)OC(=O)C2OC(CS2)N3C=CC(=NC3=O)N)C(C)C

InChI

InChI=1S/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15+,17-/m1/s1

InChIKey

QMYKWNYBSBURDT-JINKPPJBSA-N

LogP

2.4175999999999993

Topological Polar Surface Area

96.44000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

622

Synonyms & References

English

(2R,5S)-L-Menthyl-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
AKOS025401321
(2R,5S)-5-(4-AMINO-2-OXO-1,2-DIHYDRO-1-PYRIMIDINYL)-1,3-OXATHIOLANE-2-CARBOXYLIC ACID (1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL ESTER
QMYKWNYBSBURDT-JINKPPJBSA-N
147027-10-9
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
F87112
SCHEMBL13012275
(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
(1r,2s,5r)-2-isopropyl-5-methylcyclohexyl(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolane-2-carboxylate
(1r,2s,5r)-menthyl-(2r,5s)-5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-(1,3)oxathiolane-2-carboxylic acid
AS-75719
DTXSID10933012
AC-066
1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-
(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
(2R,5S)-L-Menthol-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
CME
(1R,2S,5R)-MENTHYL-(2R,5S)-5-(4-AMINO-2-OXO-2H-5-FLUORO-PYRIMIDIN-1-YL)-[1,3]-OXATHIOLANE-2-CARBOXYLIC ACID
(1'R,2'S,5'R)-Menthyl-(2R,5S)-5-(4-Amino-2-Oxo-2H-Pyrimidin-1-yl)-[1,3]Oxathiolane-2-Caboxylicacid
(1R,2S,5R)-Menthyl-(2R,5S)-5-(4-Amino-2-Oxo-2H-Pyrimidin-1-Yl)-[1,3]Oxathiolane-2-Carboxylic Acid
(2S,5R)-5-Cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester
(2R-CIS)-5-(4-AMINO-1,2-DIHYDRO-2-OXO-1-PYRIMIDINYL)
(2S.5R)-5-Cytosine-1-yl-[1,3]-oxathiolane -2-carboxylic acid menthyl ester
(2R,5S)-L-Menthol-5-
(2R,5S)-L-Methyl-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
1,3-Oxathiolane-2-carboxylicacid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-,5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1a(2R*,5S*),2b,5a]]-
(2R,5S)-
Cytidine(CME)

MDL Number

MFCD09263619

FAQ

What regulatory guidelines apply to (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate (CAS: 147027-10-9)?

Regulatory guidelines for (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate (CAS: 147027-10-9) include GHS classification, REACH regulations, and FDA/EPA requirements. It falls under the category of pharmaceutical intermediates, thus necessitating documentation of safe handling, storage, and disposal. Specific GHS labels and safety data sheets are required for workplace safety and environmental protection.

Are there alternatives to (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate (CAS: 147027-10-9) in synthesis?

There are alternative reagents and starting materials that can be used as substitutes in the synthesis of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate (CAS: 147027-10-9). Common alternatives include other amino oxathiolane derivatives or simpler precursors that can be easily manipulated to produce similar intermediates. Detailed knowledge of chemical reactivity and selectivity is crucial for identifying the most suitable alternatives.

What is the market or research trend for (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate (CAS: 147027-10-9)?

The market and research trends for (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate (CAS: 147027-10-9) are primarily focused on its role as a pharmaceutical intermediate. There is growing interest in its application in the development of antiviral and antifungal compounds. Research trends indicate an increased focus on natural product analogs and semi-synthetic derivatives, which can offer improved efficacy and reduced side effects.

How should waste containing (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate (CAS: 147027-10-9) be handled?

Waste containing (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate (CAS: 147027-10-9) should be managed according to strict environmental and safety protocols. Collection of waste should be done in sealed containers to prevent spillage. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with local regulations. Proper labeling, documentation, and transportation are essential to protect human health and the environment.