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87736-89-8,MFCD01075064
Catalog No.:AA00GWGU

87736-89-8 | 2,5-Dioxopyrrolidin-1-yl 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
99%
1 week  
$130.00   $91.00
- +
100mg
97%
1 week  
$137.00   $96.00
- +
250mg
97%
1 week  
$232.00   $162.00
- +
1g
97%
1 week  
$600.00   $420.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GWGU
Chemical Name:
2,5-Dioxopyrrolidin-1-yl 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoate
CAS Number:
87736-89-8
Molecular Formula:
C13H8F3N3O4
Molecular Weight:
327.2155
MDL Number:
MFCD01075064
SMILES:
O=C(c1ccc(cc1)C1(N=N1)C(F)(F)F)ON1C(=O)CCC1=O
Properties
Computed Properties
 
Complexity:
560  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Heterocycles,1996,vol.43,p.519-522

[2]ACSChemicalBiology,2018,vol.13,p.1380-1387

[3]LiebigsAnnalenderChemie,1983,p.1510-1523

[4]Synthesis,2012,vol.44,p.2249-2254

[5]Patent:US2012/322978,2012,A1.Locationinpatent:Page/Pagecolumn15

[6]Patent:WO2013/12961,2013,A2.Locationinpatent:Paragraph00354;00355;00359

[7]Patent:WO2019/167973,2019,A1.Locationinpatent:Paragraph0080

57260-73-8    87736-89-8   
N-<4-<3-(trifluoromethyl)-3H-diazirin-3-yl>benzoyl>-N'-(tert-butoxycarbonyl)ethylenediamine 

[1]Heterocycles,1993,vol.35,p.997-1004

[1]ChemicalandPharmaceuticalBulletin,1991,vol.39,p.1860-1862

[1]LiebigsAnnalenderChemie,1983,vol.NO.9,p.1533-1540

[1]LiebigsAnnalenderChemie,1983,vol.NO.9,p.1533-1540

Literature
Quotation Request
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SDS
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Tags:87736-89-8 Molecular Formula|87736-89-8 MDL|87736-89-8 SMILES|87736-89-8 2,5-Dioxopyrrolidin-1-yl 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoate
Catalog No.: AA00GWGU
87736-89-8,MFCD01075064
87736-89-8 | 2,5-Dioxopyrrolidin-1-yl 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoate
Pack Size： 5mg
Purity： 99%
1 week
$130.00 $91.00
Pack Size： 100mg
Purity： 97%
1 week
$137.00 $96.00
Pack Size： 250mg
Purity： 97%
1 week
$232.00 $162.00
Pack Size： 1g
Purity： 97%
1 week
$600.00 $420.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00GWGU
Chemical Name: 2,5-Dioxopyrrolidin-1-yl 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoate
CAS Number: 87736-89-8
Molecular Formula: C13H8F3N3O4
Molecular Weight: 327.2155
MDL Number: MFCD01075064
SMILES: O=C(c1ccc(cc1)C1(N=N1)C(F)(F)F)ON1C(=O)CCC1=O
Properties
Complexity: 560  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
6066-82-6    85559-46-2    87736-89-8 

[1]Heterocycles,1996,vol.43,p.519-522

[2]ACSChemicalBiology,2018,vol.13,p.1380-1387

[3]LiebigsAnnalenderChemie,1983,p.1510-1523

[4]Synthesis,2012,vol.44,p.2249-2254

[5]Patent:US2012/322978,2012,A1.Locationinpatent:Page/Pagecolumn15

[6]Patent:WO2013/12961,2013,A2.Locationinpatent:Paragraph00354;00355;00359

[7]Patent:WO2019/167973,2019,A1.Locationinpatent:Paragraph0080

57260-73-8    87736-89-8   
N-<4-<3-(trifluoromethyl)-3H-diazirin-3-yl>benzoyl>-N'-(tert-butoxycarbonyl)ethylenediamine 

[1]Heterocycles,1993,vol.35,p.997-1004

87736-89-8    90105-80-9    135330-18-6 

[1]ChemicalandPharmaceuticalBulletin,1991,vol.39,p.1860-1862

87736-89-8    87876-30-0    87876-31-1 

[1]LiebigsAnnalenderChemie,1983,vol.NO.9,p.1533-1540

87736-89-8    107-95-9    87876-35-5 

[1]LiebigsAnnalenderChemie,1983,vol.NO.9,p.1533-1540

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