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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  
$28.00   $19.00
- +
100g
98%
in stock  
$94.00   $66.00
- +
500g
98%
in stock  
$424.00 $297.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
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
Quotation Request
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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
Catalog No.: AA003A6G
55453-87-7,MFCD00242952
55453-87-7 | 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid
Pack Size： 5g
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 10g
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 25g
Purity： 98%
in stock
$28.00 $19.00
Pack Size： 100g
Purity： 98%
in stock
$94.00 $66.00
Pack Size： 500g
Purity： 98%
in stock
$424.00 $297.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
Complexity: 392  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Upstream Synthesis Route
55453-89-9    55453-87-7 

[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

156-38-7    85888-81-9    55453-87-7 

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

69031-39-6    55453-87-7 

[1]Patent:US4118401,1978,A,

2417-73-4    55453-87-7 

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

17138-28-2    55453-87-7 

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

Downstream Synthesis Route
55453-87-7    1779-49-3    113836-35-4 

[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

55453-87-7    56427-65-7 

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

2417-73-4    55453-87-7 

[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

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Submit
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