Methyl (3aR,4R,6S,6aS)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-pentanyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate

Basic Information

View in Editor

CAS Number

229613-93-8

Molecular Formula

C18H30N2O5

Molecular Weight

354.45 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

View in Editor

O=C([C@H]1C[C@@H](NC(OC(C)(C)C)=O)[C@]2([H])C(C(CC)CC)=NO[C@@]21[H])OC

InChI

InChI=1S/C18H30N2O5/c1-7-10(8-2)14-13-12(19-17(22)24-18(3,4)5)9-11(16(21)23-6)15(13)25-20-14/h10-13,15H,7-9H2,1-6H3,(H,19,22)/t11-,12+,13+,15+/m0/s1

InChIKey

WYUYCGDXMIJIAZ-KYEXWDHISA-N

LogP

2.8798000000000012

Topological Polar Surface Area

86.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

536

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(1S-4R)-4-[[(1,1-diMethylethoxy)carbonyl]aMino]- 2-Cyclopentene-1-carboxylic acid Methyl ester
Peramivir Intermediate 2
methyl 2-((1R,4R)-4-((tert-butoxycarbonyl)amino)cyclopent-2-en-1-yl)acetate
Methyl 4-{[(tert-butoxy)carbonyl]aMino}-3-(pentan-3-yl)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,2]oxazole-6-carboxylate
(3aR,4R,6S)-Methyl-4-((tert-butoxycarbonyl)aMino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate
(3aR,4R,6S,6aS)-Methyl 4-(tert-butoxycarbonyl)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate
(3aR,4R,6S,6aS)-4-[[(1,1-DiMethylethoxy)carbonyl]aMino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-6-carboxylic Acid Methyl Ester
methyl (3aR,4R,6S,6aS)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate
(3aR,4R,6S,6aS)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cy
(3aR,4R,6S,6aS)-Methyl 4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate
(3aR,4R,6S,6aS)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole...
(3AR,4R,6S,6AS)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-3-(PENTAN-3-YL)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA[D]ISOXAZOLE-6-CA...
(3aR,4R,6S,6aS)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-6-carboxylic
(3aR,4R,6S,6aS)-methyl&nbsp
2-cyclopentene-1-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1S,4R)-
4-(tert-butoxycarbonyl)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate
Methyl (1S,4R)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylate
(3ar,4r,6s,6as)-methyl 4-(tert-butoxycarbonylamino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]isoxazole-6-carboxylate
WYUYCGDXMIJIAZ-KYEXWDHISA-N
AK159702
(3aR,4R,6S,6aS)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-Cyclopent[d]isoxazole-6-carboxylic acid methyl ester

MDL Number

MFCD18206350

FAQ

What is Methyl (3aR,4R,6S,6aS)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-pentanyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate (CAS: 229613-93-8)?

This compound is a specific cyclic amide derivative with a complex molecular structure. It is characterized by its cyclopenta[d][1,2]oxazole ring system, featuring a methyl group and a 2-methyl-2-propanol substituent. It is primarily used in pharmaceutical research for its potential biological activities.

What are the main uses of Methyl (3aR,4R,6S,6aS)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-pentanyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate (CAS: 229613-93-8)?

This compound has applications in pharmaceutical research and development due to its potential biological activities. It is used as a precursor or intermediate in the synthesis of other compounds with therapeutic or diagnostic purposes.

Is Methyl (3aR,4R,6S,6aS)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-pentanyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate (CAS: 229613-93-8) safe?

The safety of this compound depends on proper handling and exposure control. It is not classified as a toxic or hazardous material, but care should be taken to avoid inhalation, skin contact, and ingestion. Proper personal protective equipment (PPE) and safety measures are recommended during handling and synthesis.

How should Methyl (3aR,4R,6S,6aS)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(3-pentanyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate (CAS: 229613-93-8) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent exposure to moisture and air. Storage at temperatures below 25°C is recommended to ensure stability. Avoid contact with incompatible materials and ensure good ventilation in the storage area.