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35710-05-5,MFCD00070638
Catalog No.:AA00C0GN

35710-05-5 | 1-Benzyl-1H-benzo[d][1,3]oxazine-2,4-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$45.00   $31.00
- +
1g
97%
in stock  
$75.00   $52.00
- +
5g
97%
in stock  
$193.00   $135.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C0GN
Chemical Name:
1-Benzyl-1H-benzo[d][1,3]oxazine-2,4-dione
CAS Number:
35710-05-5
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD00070638
SMILES:
O=c1oc(=O)c2c(n1Cc1ccccc1)cccc2
Properties
Properties
 
Form:
Solid  
MP:
136℃  

Computed Properties
 
Complexity:
362  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Khalifa,MuhammadM.;Philkhana,SatishChandra;Golden,JenniferE.[JournalofOrganicChemistry,2020,vol.85,#2,p.464-481]

[2]Pudlo,Marc;Luzet,Vincent;Ismaili,Lhassane;Tomassoli,Isabelle;Iutzeler,Anne;Refouvelet,Bernard[BioorganicandMedicinalChemistry,2014,vol.22,#8,p.2496-2507]

[3]CurrentPatentAssignee:RUTGERS,THESTATEUNIVERSITYOFNEWJERSEY-WO2017/40459,2017,A1Locationinpatent:Page/Pagecolumn69;70

[4]Beutner,GregoryL.;Kuethe,JeffreyT.;Yasuda,Nobuyoshi[JournalofOrganicChemistry,2007,vol.72,#18,p.7058-7061]

[5]Wehle,Sarah;Espargaró,Alba;Sabaté,Raimon;Decker,Michael[Tetrahedron,2016,vol.72,#20,p.2535-2543]

[6]Locationinpatent:schemeortablePin,Frédéric;Comesse,Sébastien;Daïch,Adam[Tetrahedron,2011,vol.67,#31,p.5564-5571]

[7]Tomassoli,Isabelle;Herlem,Guillaume;Picaud,Fabien;Benchekroun,Mohamed;Bautista-Aguilera,OscarM.;Luzet,Vincent;Jimeno,María-Luisa;Gharbi,Tijani;Refouvelet,Bernard;Ismaili,Lhassane[MonatsheftefurChemie,2016,vol.147,#6,p.1069-1079]

[8]Bieszczad,Bartosz;Garbicz,Damian;Trzybiński,Damian;Mielecki,Damian;Woźniak,Krzysztof;Grzesiuk,Elżbieta;Mieczkowski,Adam[Molecules,2020,vol.25,#4]

[9]Clark,RachelL.;Clements,CarolJ.;Barrett,MichaelP.;MacKay,SimonP.;Rathnam,RajendraP.;Owusu-Dapaah,George;Spencer,John;Huggan,JudithK.[BioorganicandMedicinalChemistry,2012,vol.20,#20,p.6019-6033]

[10]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/38571,2007,A2Locationinpatent:Page/Pagecolumn19-20

[11]D'Souza,AshaM.;Spiccia,Nadia;Basutto,Jose;Jokisz,Pawel;Wong,LeonS.-M.;Meyer,AdamG.;Holmes,AndrewB.;White,JonathanM.;Ryan,JohnH.[OrganicLetters,2011,vol.13,#3,p.486-489]

[12]Palomo,Valle;Perez,DanielI.;Roca,Carlos;Anderson,Cara;Rodríguez-Muela,Natalia;Perez,Concepción;Morales-Garcia,JoseA.;Reyes,JulioA.;Campillo,NuriaE.;Perez-Castillo,AnaM.;Rubin,LeeL.;Timchenko,Lubov;Gil,Carmen;Martinez,Ana[JournalofMedicinalChemistry,2017,vol.60,#12,p.4983-5001]

[13]Tedesco,Rosanna;Shaw,AntonyN.;Bambal,Ramesh;Chai,Deping;Concha,NestorO.;Darcy,MichaelG.;Dhanak,Dashyant;Fitch,DukeM.;Gates,Adam;Gerhardt,WarrenG.;Halegoua,DinaL.;Han,Chao;Hofmann,GlennA.;Johnston,VictorK.;Kaura,ArunC.;Liu,Nannan;Keenan,RichardM.;Lin-Goerke,Juili;Sarisky,RobertT.;Wiggall,KennethJ.;Zimmerman,MichaelN.;Duffy,KevinJ.[JournalofMedicinalChemistry,2006,vol.49,#3,p.971-983]

[14]Wang,Zi-Xuan;Xiang,Jia-Chen;Wang,Miao;Ma,Jin-Tian;Wu,Yan-Dong;Wu,An-Xin[OrganicLetters,2018,vol.20,#20,p.6380-6383]

[15]Yang,Guo;Cheng,Cheng;Xu,Guo-Bo;Tang,Lei;Chua,Kim-Lee;Yang,Yuan-Yong[BioorganicandMedicinalChemistry,2020,vol.28,#16]

[1]Locationinpatent:schemeortableVerma,Amit;Giridhar,Rajani;Modh,Pratik;Yadav,MangeRam[TetrahedronLetters,2012,vol.53,#24,p.2954-2958]

Literature

Title: Identification and development of the 1,4-benzodiazepin-2-one and quinazoline-2,4-dione scaffolds as submicromolar inhibitors of HAT.

Journal: Bioorganic & medicinal chemistry 20121015

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Tags:35710-05-5 Molecular Formula|35710-05-5 MDL|35710-05-5 SMILES|35710-05-5 1-Benzyl-1H-benzo[d][1,3]oxazine-2,4-dione