(1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol

Basic Information

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CAS Number

117641-39-1

Molecular Formula

C13H16O3

Molecular Weight

220.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

363.129°C at 760 mmHg

Flash Point

173.415°C

Refractive Index

1.579

SMILES

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C1C(C(C2C1O2)COCC3=CC=CC=C3)O

InChI

InChI=1S/C13H16O3/c14-11-6-12-13(16-12)10(11)8-15-7-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13+/m1/s1

InChIKey

LPHHAQDOQOLDFK-XQHKEYJVSA-N

LogP

1.3514

Topological Polar Surface Area

41.99 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

237

Synonyms & References

English

AC-5917
A803799
(1S,2R,3S,5R)-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
BCP08538
(1S,2R,3S,5R)-2-((benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexan-3-ol? (Entecavir Impurity pound(c)
AKOS015917753
CS-0165042
SCHEMBL2512777
(1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
(1S,2R,3S,5R)-2-((Benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexan-3-ol
(1S,2R,3S,5R)-2-[(Phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol
117641-39-1
(1S,2R,3S,5R)-2-[(benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol
4-(benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol;(1S,2R,3S,5R)-2-((Benzyloxy)methyl)-6-oxabicyclo[3.1.0]hexan-3-ol
6-Oxabicyclo[3.1.0]hexan-3-ol,2-[(phenylmethoxy)methyl]-, [1S-(1a,2a,3b,5a)]-
Entecavir-2
Entecavir E2
Entecavir interMediate 2
(1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-o
[1s-(1α,2α, 3β,5α)]-2-[(phenmethoxy)-methyl]-6-oxabicyclo[3,1,0]hexan-3-ol

MDL Number

MFCD09750962

FAQ

What is (1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol (CAS: 117641-39-1)?

This compound is known as (1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol and is a cyclic alcohol. It has a molecular formula of C12H18O3 and is characterized by its specific stereochemistry. It is a colorless oil and is used in pharmaceuticals and as an intermediate in organic synthesis.

What are the main uses of (1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol (CAS: 117641-39-1)?

This compound is primarily used as an intermediate in the synthesis of various pharmaceuticals and as a building block in organic chemistry. It is also utilized in the preparation of certain natural product analogs and as a reagent in organic transformations.

Is (1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol (CAS: 117641-39-1) safe?

The safety of (1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol depends on proper handling and use. It is generally safe when handled with standard laboratory precautions. However, it should be used in a well-ventilated area and with appropriate personal protective equipment (PPE) to avoid skin and respiratory exposure. Avoid contact with eyes and ingesting the compound.

How should (1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol (CAS: 117641-39-1) be stored?

(1S,2R,3S,5R)-2-[(Benzyloxy)methyl]-6-oxabicyclo[3.1.0]hexan-3-ol should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Store it at a temperature not exceeding 25°C and avoid exposure to high humidity to maintain its stability and quality.