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

Modify Date: 2025-08-25 09:43:51

(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate Structure
(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate structure
 Common Name (1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
CAS Number 204254-96-6 Molecular Weight 254.322
Density 1.1±0.1 g/cm3 Boiling Point 336.5±42.0 °C at 760 mmHg
Molecular Formula C14H22O4 Melting Point 56-57ºC
MSDS N/A Flash Point 145.1±27.9 °C

 Names

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

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 336.5±42.0 °C at 760 mmHg
Melting Point 56-57ºC
Molecular Formula C14H22O4
Molecular Weight 254.322
Flash Point 145.1±27.9 °C
Exact Mass 254.151810
PSA 48.06000
LogP 3.47
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.492
InChIKey XZXCGRFGEVXWIT-FRRDWIJNSA-N
SMILES CCOC(=O)C1=CC(OC(CC)CC)C2OC2C1
Storage condition -20°C Freezer

 Synthetic Route

ethyl (3R,4R,5R)-3-(1-ethyl-propoxy)-4-hydroxy-5-methanesulfonyloxycyclohex-1-ene-1-carboxylate structure

ethyl (3R,4R,5R...

CAS#:204254-92-2

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

(1S,5R,6S)-Ethy...

CAS#:204254-96-6

Literature: WO2007/74091 A2, ; Page/Page column 18; 23 ;
(3aR,7R,7aR)-2,2-Diethyl-3a,6,7,7a-tetrahydro-7-[(Methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic Acid Ethyl Ester structure

(3aR,7R,7aR)-2,...

CAS#:204254-90-0

~%

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

(1S,5R,6S)-Ethy...

CAS#:204254-96-6

Literature: Journal of Organic Chemistry, , vol. 63, # 13 p. 4545 - 4547
1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2,2-dimethyl-7-[(Methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)- structure

1,3-Benzodioxol...

CAS#:204254-84-2

~%

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

(1S,5R,6S)-Ethy...

CAS#:204254-96-6

Literature: Journal of Organic Chemistry, , vol. 63, # 13 p. 4545 - 4547
ethyl 3,4-O-isopropylidene-5-O-methanesulfonyl quinate structure

ethyl 3,4-O-iso...

CAS#:204254-81-9

~%

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

(1S,5R,6S)-Ethy...

CAS#:204254-96-6

Literature: US2014/51756 A1, ;
D-(-)-Quinic acid structure

D-(-)-Quinic acid

CAS#:77-95-2

~%

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

(1S,5R,6S)-Ethy...

CAS#:204254-96-6

Literature: US2014/51756 A1, ;
2,2-Dimethoxypropane structure

2,2-Dimethoxypropane

CAS#:77-76-9

~%

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

(1S,5R,6S)-Ethy...

CAS#:204254-96-6

Literature: US2014/51756 A1, ;
(3aR,4R,7S,8aR)-Tetrahydro-7-hydroxy-2,2-dimethyl-4,7-methano-1,3-dioxolo[4,5-c]oxepin-6(4H)-one structure

(3aR,4R,7S,8aR)...

CAS#:32384-42-2

~%

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

(1S,5R,6S)-Ethy...

CAS#:204254-96-6

Literature: US2014/51756 A1, ;

 Synonyms

(1S,5R,6S)-5-(1-Ethyl-propoxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester
MFCD08063944
Ethyl 5-(3-pentanyloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
ETHYL(3R,4S,5S)-4,5-EPOXY-3-(1-ETHYL-PROPOXY)-CYCLOHEX-1-ENE-1-CARBOXYLATE
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid,5-(1-ethylpropoxy)-,ethyl ester,(1S,5R,6S)
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-, ethyl ester, (1S,5R,6S)-
Ethyl (3R,4S,5S)-4,5-Epoxy-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate
ethyl(3R,4R,5S)-4,5-epoxy-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
Ethyl (1S,5R,6S)-5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
T36 BO EUTJ DOY2&2 FVO2 &&(1S,5R,6S)- Form
[1s-(1a,5b,6a)]-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester
Ethyl (1S,5R,6S)-5-(3-pentanyloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
ETHYL(3R,4S,5S)-4,5-EPOXY-3-(1-ETHYL-PROPOXY)-CYCLOHEX-1-ENE-1-CARBOXYLATE(INTERMEDIATE OF OSELTAMIVIR PHOSPHATE )
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-, ethyl ester
ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
EEC epoxide
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Chemsrc provides CAS#:204254-96-6 MSDS, density, melting point, boiling point, structure, etc. Its name is (1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate>> amp version: (1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate

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