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55453-87-7,MFCD00242952
Catalog No.:AA003A6G

55453-87-7 | 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$7.00   $5.00
- +
10g
98%
in stock  
$13.00   $9.00
- +
25g
98%
in stock  
$27.00   $19.00
- +
100g
98%
in stock  
$96.00   $68.00
- +
500g
98%
in stock  
$444.00   $311.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003A6G
Chemical Name:
6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid
CAS Number:
55453-87-7
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD00242952
SMILES:
OC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
NSC Number:
300907
Properties
Computed Properties
 
Complexity:
392  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:EP2072507,2009,A1,.Locationinpatent:Page/Pagecolumn10-11

[2]Patent:US2007/232814,2007,A1,.Locationinpatent:Page/Pagecolumn23-24

[3]Patent:CN104262318,2016,B,.Locationinpatent:Paragraph0055;0056

[4]JournalofMedicinalChemistry,1996,vol.39,#1,p.246-252

[5]Patent:US4585788,1986,A,

[6]Patent:WO2011/128911,2011,A2,.Locationinpatent:Page/Pagecolumn21-22

[7]Patent:CN106518833,2017,A,.Locationinpatent:Paragraph0008-0009

[1]Patent:CN105693685,2016,A,.Locationinpatent:Paragraph0050;0051

[1]Patent:US4118401,1978,A,

[1]JournalofMedicinalChemistry,1996,vol.39,#1,p.246-252

[1]JournalofMedicinalChemistry,1996,vol.39,#1,p.246-252

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1992,vol.35,p.2074-2084

55453-87-7   
4-(dimethylamino)butyltriphenylphosphoniumbromidehydrobromide 
 
11-(4-Dimethylamino-butyl)-11-hydroxy-6,11-dihydro-dibenzob,eoxepin-2-yl-aceticacid 

[1]JournalofMedicinalChemistry,1992,vol.35,p.2074-2084

[1]JournalofMedicinalChemistry,1992,vol.35,p.2074-2084

[1]JournalofMedicinalChemistry,1996,vol.39,p.246-252

55453-87-7   
2-(6,11-dihydrodibenzb,eoxepin-2-yl)-N-ethyl-N-hydroxyethylamine 

[1]JournalofMedicinalChemistry,1996,vol.39,p.246-252

Literature
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SDS
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Tags:55453-87-7 Molecular Formula|55453-87-7 MDL|55453-87-7 SMILES|55453-87-7 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid