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97538-67-5,MFCD08274464
Catalog No.:AA005Z7W

97538-67-5 | (2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$9.00   $7.00
- +
5g
95%
in stock  
$23.00   $16.00
- +
10g
98%
in stock  
$43.00   $30.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005Z7W
Chemical Name:
(2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one
CAS Number:
97538-67-5
Molecular Formula:
C7H8Cl3NO2
Molecular Weight:
244.5029
MDL Number:
MFCD08274464
SMILES:
O=C1O[C@@H](N2[C@H]1CCC2)C(Cl)(Cl)Cl
Properties
Properties
 
BP:
338.6 °C at 760 mmHg  
Form:
Solid  
MP:
108-112°C  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
240  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
XLogP3:
2.5  

Downstream Synthesis Route
302-17-0    147-85-3   
(2R,5S)-2-trichloromethyl-1-aza-3-oxabicyclo3.3.0octan-4-one 

[1]CurrentPatentAssignee:LONZAGROUPAG-WO2019/2344,2019,A1Locationinpatent:Page/Pagecolumn9-11

[2]Su,Bo;Deng,Meng;Wang,Qingmin[EuropeanJournalofOrganicChemistry,2013,#10,p.1979-1985]

[3]Su,Bo;Cai,Chunlong;Wang,Qingmin[JournalofOrganicChemistry,2012,vol.77,#18,p.7981-7987]

[4]Li,Shi-Guang;Portela-Cubillo,Fernando;Zard,SamirZ.[OrganicLetters,2016,vol.18,#8,p.1888-1891]

[5]Harris,PaulW.R.;Brimble,MargaretA.;Muir,VictoriaJ.;Lai,MichelleY.H.;Trotter,NicholasS.;Callis,DavidJ.[Tetrahedron,2005,vol.61,#42,p.10018-10035]

[6]CurrentPatentAssignee:NEURENPHARMACEUTICALSLIMITED-WO2006/127702,2006,A2Locationinpatent:Page/Pagecolumn29-30

[7]CurrentPatentAssignee:CaiPei;ZhengYi;SheZhihua;DengZheng;MuYibing;LiHui;WangFang-CN112174869,2021,ALocationinpatent:Paragraph0020;0032;0033

[8]CurrentPatentAssignee:CaiPei;ZhengYi;SheZhihua;DengZheng;LiHui;WangFang;MuYibing-CN112174870,2021,ALocationinpatent:Paragraph0019;0031-0032

[9]KAsperowicz-Frankowska,Katarzyna;Kolesińska,Beata;Gzik,Anna;Jastrzabek,Konrad;Kamiński,ZbigniewJ.[Actapoloniaepharmaceutica,2018,vol.75,#4,p.921-927]

[10]CurrentPatentAssignee:VallineSRL-WO2013/83604,2013,A1Locationinpatent:Page/Pagecolumn296;297

[11]CurrentPatentAssignee:APTINYXINC.-WO2017/201283,2017,A1Locationinpatent:Page/Pagecolumn26;41

[12]CurrentPatentAssignee:APTINYXINC.-WO2017/201285,2017,A1Locationinpatent:Page/Pagecolumn26

[13]Macharia,Juliet;Wambua,Victor;Hong,Yun;Harris,Lawrence;Hirschi,JenniferS.;Evans,GaryB.;Vetticatt,MathewJ.[AngewandteChemie-InternationalEdition,2017,vol.56,#30,p.8756-8760][Angew.Chem.,2017,vol.129,#30,p.8882-8886]

[14]Polonski,T.[Tetrahedron,1985,vol.41,#3,p.603-610]

[15]Hoffmann,Tobias;Lanig,Harald;Waibel,Reiner;Gmeiner,Peter[AngewandteChemie-InternationalEdition,2001,vol.40,#18,p.3361-3364]

[1]McGrath,Sally;Tortorici,Marcello;Drouin,Ludovic;Solanki,Savade;Vidler,Lewis;Westwood,Isaac;Gimeson,Peter;VanMontfort,Rob;Hoelder,Swen[Chemistry-AEuropeanJournal,2017,vol.23,#40,p.9577-9584]

Literature
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Tags:97538-67-5 Molecular Formula|97538-67-5 MDL|97538-67-5 SMILES|97538-67-5 (2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one