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66410-67-1,MFCD03783556
Catalog No.:AA006M32

66410-67-1 | 3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid

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Purity
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Price(USD)
Quantity
  
100mg
95%
in stock  
$234.00   $164.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006M32
Chemical Name:
3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid
CAS Number:
66410-67-1
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD03783556
SMILES:
OC(=O)c1cccc2c1OCCCO2
Properties
Properties
 
BP:
345.9°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route
148703-15-5    66410-67-1   
3,4-Dihydro-2H-benzob1,4dioxepine-6-carboxylicacid1-butyl-piperidin-4-ylmethylester 

[1]Gaster;Jennings;Joiner;King;Mulholland;Rahman;Starr;Wyman;Wardle;Ellis;Sanger[JournalofMedicinalChemistry,1993,vol.36,#25,p.4121-4123]

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1362846,2003,A1Locationinpatent:Page/Pagecolumn86

[2]Shao,Xuwei;Pak,Steven;Velagapudi,UdayKiran;Gobbooru,Shruthi;Kommaraju,SaiShilpa;Low,Woon-Kai;Subramaniam,Gopal;Pathak,SanjaiKumar;Talele,TanajiT.[BioorganicChemistry,2020,vol.102]

(1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-4-(trifluoromethyl)phenylpropan-1-ol 
  66410-67-1   
N-(1RS,2SR)-2'-(4-fluorophenyl)-2-hydroxy-1-4-(trifluoromethyl)benzylethyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1362846,2003,A1Locationinpatent:Page/Pagecolumn87

(1RS,2SR)-2-amino-1-(4-fluorophenyl)-3-3-(1,1,2,2-tetrafluoroethoxy)phenylpropan-1-ol 
  66410-67-1   
N-(1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-3-(1,1,2,2-tetrafluoroethoxy)benzylethyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1362846,2003,A1Locationinpatent:Page/Pagecolumn98-99

Literature
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SDS
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Tags:66410-67-1 Molecular Formula|66410-67-1 MDL|66410-67-1 SMILES|66410-67-1 3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid