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Home > Encyclopedia > Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate structure

Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate 

structure
  • CAS No:

    204254-96-6

  • Formula:

    C14H22O4

  • Chemical Name:

    Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

  • Synonyms:

    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-(1α,5β,6α)]-;Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

  • Categories:

    Specialty Chemicals

Description

White to Off-White Solid

Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate Basic Attributes

254.322

254.32

429-020-1

Characteristics

48.06000

3.47

1.1±0.1 g/cm3

56-57ºC

336.5±42.0 °C at 760 mmHg

145.1±27.9 °C

1.492

Safety Information

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P260, P261, P272, P280, P302+P352, P314, P321, P333+P313, P363, and P501|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate Use and Manufacturing

An intermediate of Oseltamivir.

Computed Properties

Molecular Weight:254.32
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:254.15180918
Monoisotopic Mass:254.15180918
Topological Polar Surface Area:48.1
Heavy Atom Count:18
Complexity:333
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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