117641-39-1

• 

• Basic information

  1. Product Name: (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
  2. Synonyms: (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol;[1s-(1α,2α, 3β,5α)]-2-[(phenmethoxy)-methyl]-6-oxabicyclo[3,1,0]hexan-3-ol;Entecavir interMediate 2;Entecavir-2;Entecavir E2;(1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-o
  3. CAS NO:117641-39-1
  4. Molecular Formula: C₁₃H₁₆O₃
  5. Molecular Weight: 220.26
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 117641-39-1.mol
  9. Article Data: 8

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 363.129 °C at 760 mmHg
  3. Flash Point: 173.415 °C
  4. Appearance: /
  5. Density: 1.222
  6. Vapor Pressure: 0mmHg at 25°C
  7. Refractive Index: 1.579
  8. Storage Temp.: 2-8°C
  9. Solubility: Chloroform (Slightly), Methanol (Slightly)
  10. PKA: 14.36±0.40(Predicted)
  11. CAS DataBase Reference: (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol(CAS DataBase Reference)
  12. NIST Chemistry Reference: (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol(117641-39-1)
  13. EPA Substance Registry System: (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol(117641-39-1)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 117641-39-1(Hazardous Substances Data)

• Suppliers
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• High quality （1S,2R,3S,5R）-2-(Benzyloxymethyl)-6-Oxabicyclo[3.1.0]Hexan-3-Ol? supplier in China

  Cas No: 117641-39-1

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

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• TIANFU CHEM---(1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol

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• (1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol CAS NO.117641-39-1

  Cas No: 117641-39-1

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

  Cas No: 117641-39-1

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117641-39-1 Usage

Description

(1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol is a complex organic compound with a unique molecular structure. It is characterized by its bicyclic ring system and the presence of a benzyloxymethyl group, which contributes to its specific properties and potential applications.

Uses

Used in Pharmaceutical Industry:
(1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol is used as an impurity in the production of Entecavir (E558900), an oral antiviral drug. Entecavir is specifically used in the treatment of hepatitis B infection, acting as a guanine analogue that inhibits all three steps in the viral replication process. The presence of this compound in the production process may affect the drug's efficacy and safety, making it a significant consideration in the pharmaceutical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 117641-39-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,6,4 and 1 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 117641-39:
(8*1)+(7*1)+(6*7)+(5*6)+(4*4)+(3*1)+(2*3)+(1*9)=121
121 % 10 = 1
So 117641-39-1 is a valid CAS Registry Number.

InChI:InChI=1/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

117641-39-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

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

1.2 Other means of identification

Product number	-
Other names	(1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:117641-39-1 SDS

117641-39-1Upstream product

• 110567-21-0 (1S,2R)-2-(benzyloxymethyl)-1-hydroxy-3-cyclopentene 
• 542-92-7 cyclopenta-1,3-diene 
• 4984-82-1 sodium cyclopentadienylide 
• 39939-07-6 5-(benzyloxymethyl)cyclopentadiene 
• 3587-60-8 Benzyloxymethyl chloride 
• 668996-17-6 (1R,4S,5S)-5-((benzyloxy)methyl)-4-((4-methoxybenzyl)oxy)cyclopent-2-enol 
• 133299-26-0 (1S,2R,3S,5R)-2-benzyloxymethyl-3-(4-methoxybenzyloxy)-6-oxabicyclo<3.1.0>hexane 
• 668996-19-8 (1S,5R)-5-Benzyloxymethyl-cyclopent-2-enol 

117641-39-1Downstream Products

• 325480-48-6 (1S,2S,3R,4S)-3-benzyloxymethyl-cyclopentane-1,2,4-triol 
• 668996-22-3 (1S,2S,5R)-2-Benzyloxymethyl-6-oxa-bicyclo[3.1.0]hexane 
• 668996-14-3 (1S,2S,5R)-2-Benzyloxymethyl-6-oxa-bicyclo[3.1.0]hexan-3-one 
• 668996-12-1 ((1S,2S,3S,5R)-2-Benzyloxymethyl-6-oxa-bicyclo[3.1.0]hex-3-yloxy)-tert-butyl-dimethyl-silane 
• 110567-21-0 (1S,2R)-2-(benzyloxymethyl)-1-hydroxy-3-cyclopentene 
• 668996-31-4 (1R,3S,5R)-3-Benzyloxymethyl-6-oxa-bicyclo[3.1.0]hexan-2-one 
• 668996-24-5 (1α,2β,3α,5α)-3-[(Phenylmethoxy)methyl]-6-oxabicyclo[3.1.0]hexan-2-ol 
• 668996-25-6 (1S,3R,5R)-3-Benzyloxymethyl-2-methylene-6-oxa-bicyclo[3.1.0]hexane 
• 668996-13-2 (1R,4S)-3-[(benzyloxy)methyl]-4-{[tert-butyl(dimethyl)silyl]-oxy}cyclopent-2-en-1-ol 
• 668996-17-6 (1R,4S,5S)-5-((benzyloxy)methyl)-4-((4-methoxybenzyl)oxy)cyclopent-2-enol 
• 668996-26-7 2-benzyloxymethyl-4-(tert-butyl-diphenyl-silanyloxy)-cyclopent-2-enone 
• 668996-15-4 (1S,4R)-2-Benzyloxymethyl-4-(tert-butyl-diphenyl-silanyloxy)-cyclopent-2-enol 
• 114071-49-7 1-(3',5'-di-O-benzyl-2'-deoxy-6'-hydroxy-6'-carba-β-D-ribofuranosyl)thymine 
• 114884-15-0 1-((1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl)-5-methylpyrimidine-2,4(1H,3H)-dione 

117641-39-1Relevant articles and documents

A New Route for the Synthesis of Entecavir

Wang, Shan-chun,Zhang, Xi-quan,Gu, Hong-mei,Zhu, Xue-yan,Guo, Ya-jun

, p. 568 - 574 (2017/12/12)

-

Novel 3′-deoxy analogs of the anti-HBV agent entecavir: Synthesis of enantiomers from a single chiral epoxide

Ruediger, Edward,Martel, Alain,Meanwell, Nicholas,Solomon, Carola,Turmel, Brigitte

, p. 739 - 742 (2007/10/03)

A synthesis of novel 3′-deoxy analogs of the anti-HBV agent entecavir (BMS-200475) was devised using regioselective ring opening of suitable cyclopentene epoxides as the key step. This versatile approach afforded access to an enantiomeric pair of carbocyclic nucleosides from a single chiral intermediate.

Enantioselective synthesis of optically active carbocyclic sugars

Gathergood,Knudsen,Jorgensen

, p. 1014 - 1017 (2007/10/03)

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