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3648-86-0,MFCD00667644
Catalog No.:AA00BX9S

3648-86-0 | 7-Methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one

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Purity
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Price(USD)
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100mg
95%
in stock  
$71.00   $50.00
- +
250mg
95%
in stock  
$107.00   $75.00
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1g
95%
in stock  
$211.00   $148.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BX9S
Chemical Name:
7-Methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
CAS Number:
3648-86-0
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD00667644
SMILES:
COc1ccc2c(c1)CCCNC2=O
Properties
Properties
 
Form:
Solid  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Johnson,GrahamP.;Marples,BrianA.[JournaloftheChemicalSociety.PerkintransactionsI,1988,p.3399-3406]

[1]Anderson,WayneK.;Heider,ArvelaR.;Raju,Natarajan;Yucht,JefferyA.[JournalofMedicinalChemistry,1988,vol.31,#11,p.2097-2102]

[1]CurrentPatentAssignee:MERCK&COINC-WO2010/11657,2010,A1Locationinpatent:Page/Pagecolumn42

[2]Nicholls;Alewood[BioorganicChemistry,1994,vol.22,#3,p.300-317]

[3]CurrentPatentAssignee:ELILILLY&CO;PFIZERINC-WO2004/18432,2004,A1Locationinpatent:Page14-15

[4]Jesudason,CynthiaD.;Beavers,LisaS.;Cramer,JeffreyW.;Dill,Joelle;Finley,DonR.;Lindsley,CraigW.;Stevens,F.Craig;Gadski,RobertA.;Oldham,SamuelW.;Pickard,R.Todd;Siedem,ChristopherS.;Sindelar,DanaK.;Singh,Ajay;Watson,BrianM.;Hipskind,PhilipA.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#13,p.3415-3418]

[5]Takeuchi,Kumiko;Holloway,WilliamG.;Mitch,CharlesH.;Quimby,StevenJ.;McKinzie,JamieH.;Suter,ToddM.;Statnick,MichaelA.;Surface,PeggyL.;Emmerson,PaulJ.;Thomas,ElizabethM.;Siegel,MilesG.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#24,p.6841-6846]

[6]CurrentPatentAssignee:RESPIRATORIUS-US2005/165004,2005,A1Locationinpatent:Page/Pagecolumn6-7

[7]Wang,Xiao-Feng;Guan,Fang;Ohkoshi,Emika;Guo,Wanjun;Wang,Lili;Zhu,Dong-Qing;Wang,Sheng-Biao;Wang,Li-Ting;Hamel,Ernest;Yang,Dexuan;Li,Linna;Qian,Keduo;Morris-Natschke,SusanL.;Yuan,Shoujun;Lee,Kuo-Hsiung;Xie,Lan[JournalofMedicinalChemistry,2014,vol.57,#4,p.1390-1402]

[1]Nicholls;Alewood[BioorganicChemistry,1994,vol.22,#3,p.300-317]

[1]Locationinpatent:experimentalpartCrosby,IanT.;Shin,JamesK.;Capuano,Ben[AustralianJournalofChemistry,2010,vol.63,#2,p.211-226]

[2]Wang,Xiao-Feng;Guan,Fang;Ohkoshi,Emika;Guo,Wanjun;Wang,Lili;Zhu,Dong-Qing;Wang,Sheng-Biao;Wang,Li-Ting;Hamel,Ernest;Yang,Dexuan;Li,Linna;Qian,Keduo;Morris-Natschke,SusanL.;Yuan,Shoujun;Lee,Kuo-Hsiung;Xie,Lan[JournalofMedicinalChemistry,2014,vol.57,#4,p.1390-1402]

[3]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2004/69256,2004,A1Locationinpatent:Page/Pagecolumn31

[4]Nicholls;Alewood[BioorganicChemistry,1994,vol.22,#3,p.300-317]

[5]Locationinpatent:experimentalpartCrosby,IanT.;Shin,JamesK.;Capuano,Ben[AustralianJournalofChemistry,2010,vol.63,#2,p.211-226]

[6]Dalence-Guzman,MariaF.;Berglund,Magnus;Skogvall,Staffan;Sterner,Olov[BioorganicandMedicinalChemistry,2008,vol.16,#5,p.2499-2512]

[7]Crosby,IanT.;Shin,JamesK.;Capuano,Ben[AustralianJournalofChemistry,2010,vol.63,#2,p.211-226]

[8]Piao,Feng-Yu;Xie,Yu-Zhong;Zhang,Wen-Bin;Zhang,Wei;Han,Rong-Bi[SyntheticCommunications,2013,vol.43,#14,p.1920-1930]

Literature
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SDS
Tags:3648-86-0 Molecular Formula|3648-86-0 MDL|3648-86-0 SMILES|3648-86-0 7-Methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one