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54639-48-4,MFCD00191259
Catalog No.:AA00I9OP

54639-48-4 | (6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$112.00   $78.00
- +
1g
95%
in stock  
$261.00   $183.00
- +
25g
98%
in stock  
$6,174.00   $4,322.00
- +
100g
98%
in stock  
$22,072.00   $15,450.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I9OP
Chemical Name:
(6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Number:
54639-48-4
Molecular Formula:
C28H24N2O5S
Molecular Weight:
500.5656
MDL Number:
MFCD00191259
SMILES:
O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)OC(c1ccccc1)c1ccccc1)O)Cc1ccccc1
Properties
Properties
 
BP:
715.5°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
840  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
8  
XLogP3:
4.4  

Downstream Synthesis Route

[1]Scartazzini;Bickel[HelveticaChimicaActa,1974,vol.57,#7,p.1919-1934]

[1]CurrentPatentAssignee:KUKJEPHARMACOLTD-KR2020/104657,2020,ALocationinpatent:Paragraph0090-0092

[2]Scartazzini;Schneider;Bickel[HelveticaChimicaActa,1975,vol.58,#8,p.2437-2450]

[1]CurrentPatentAssignee:SUTTONLARRYD;KEENANRICHARDM-WO2020/206381,2020,A1Locationinpatent:Paragraph0279;0281-0282

[2]Farina,Vittorio;Baker,StephenR.;Hauck,SheilaI.[JournalofOrganicChemistry,1989,vol.54,#20,p.4962-4966]

[3]Farina,Vittorio;Baker,StephenR.;Sapino,Chester[TetrahedronLetters,1988,vol.29,#47,p.6043-6046]

[4]Buynak,JohnO.;Vogeti,Lakshminarayana;Chen,Hansong[OrganicLetters,2001,vol.3,#19,p.2953-2956]Buynak,JohnD;Vogeti,Lakshminarayana;Doppalapudi,VenkataRamana;Solomon,GeorgeMartin;Chen,Hansong[Bioorganicandmedicinalchemistryletters,2002,vol.12,#12,p.1663-1666]

[5]Locationinpatent:schemeortablePohlmann,Jens;Vasilevich,NatalyaI.;Glushkov,AndreiI.;Kellenberger,Laurenz;Shapiro,Stuart;Caspers,Patrick;Page,MalcolmG.P.;Danel,Franck[BioorganicandMedicinalChemistryLetters,2010,vol.20,#15,p.4635-4638]

[1]Tanaka;Taniguchi;Kameyama;Monnin;Torii;Sasaoka;Shiroi;Nagao;Yamada;Tokumaru[BulletinoftheChemicalSocietyofJapan,1995,vol.68,#5,p.1385-1391]

diphenylmethyl2-(3-benzyl-6-oxo-2-thia-4,7-diazabicyclo<3.2.0>hept-3-en-7-yl)-4-chloro-3-morpholino-2-butenoate 
  54639-48-4 

[1]Tanaka;Taniguchi;Kameyama;Monnin;Torii;Sasaoka;Shiroi;Nagao;Yamada;Tokumaru[BulletinoftheChemicalSocietyofJapan,1995,vol.68,#5,p.1385-1391]

Literature
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SDS
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Tags:54639-48-4 Molecular Formula|54639-48-4 MDL|54639-48-4 SMILES|54639-48-4 (6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate