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39891-55-9,MFCD08669486
Catalog No.:AA00C66S

39891-55-9 | 3-BENZOFURANCARBOXYLIC ACID, 2,3-DIHYDRO-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$175.00   $123.00
- +
250mg
95%
in stock  
$279.00   $196.00
- +
1g
95%
in stock  
$871.00   $610.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C66S
Chemical Name:
3-BENZOFURANCARBOXYLIC ACID, 2,3-DIHYDRO-
CAS Number:
39891-55-9
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD08669486
SMILES:
OC(=O)C1COc2c1cccc2
Properties
Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.2  

Downstream Synthesis Route
39891-55-9    606-25-7   
N-(naphthalene-1-sulfonyl)-2,3-dihydro-1-benzofuran-3-carboxamide 

[1]Patent:US2018/244640,2018,A1.Locationinpatent:Paragraph0968

88-19-7    39891-55-9   
N-(2-methylbenzene-1-sulfonyl)-2,3-dihydro-1-benzofuran-3-carboxamide 

[1]CurrentPatentAssignee:ABBVIEINC;GALAPAGOS-US2018/244640,2018,A1Locationinpatent:Paragraph0955

Literature

Title: Dynamic kinetic resolution of 2,3-dihydrobenzo[b]furans: chemoenzymatic synthesis of analgesic agent BRL 37959.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20120827

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SDS
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Tags:39891-55-9 Molecular Formula|39891-55-9 MDL|39891-55-9 SMILES|39891-55-9 3-BENZOFURANCARBOXYLIC ACID, 2,3-DIHYDRO-