ChemicalBook--->CAS DataBase List--->204254-96-6

204254-96-6

204254-96-6 Structure

204254-96-6 Structure
IdentificationMore
[Name]

(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
[CAS]

204254-96-6
[Synonyms]

[1s-(1a,5b,6a)]-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester
(1S,5R,6S)-ETHYL 5-(PENTAN-3-YL-OXY)-7-OXA-BICYCLO[4.1.0]HEPT-3-ENE-3-CARBOXYLATE
ETHYL(3R,4S,5S)-4,5-EPOXY-3-(1-ETHYL-PROPOXY)-CYCLOHEX-1-ENE-1-CARBOXYLATE
ETHYL(3R,4S,5S)-4,5-EPOXY-3-(1-ETHYL-PROPOXY)-CYCLOHEX-1-ENE-1-CARBOXYLATE(INTERMEDIATE OF OSELTAMIVIR PHOSPHATE )
ethyl(3R, 4R, 5S)-4,5-epoxy-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-, ethyl ester, (1S,5R,6S)-
-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylicacid,5-(1-ethylpropoxy)-,ethylester,(1S,5R,6S)-
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C14H22O4
[MDL Number]

MFCD08063944
[Molecular Weight]

254.32
[MOL File]

204254-96-6.mol
Chemical PropertiesBack Directory
[Melting point ]

56-57°C
[Boiling point ]

336.5±42.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m1/s1
[InChIKey]

XZXCGRFGEVXWIT-FRRDWIJNSA-N
[SMILES]

[C@]12([H])[C@]([H])(O1)[C@H](OC(CC)CC)C=C(C(OCC)=O)C2
[CAS DataBase Reference]

204254-96-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227-H315-H319-H335
[Precautionary statements ]

P210-P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

An intermediate of Oseltamivir.
Spectrum DetailBack Directory
[Spectrum Detail]

(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate(204254-96-6)1HNMR
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