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87779-78-0,MFCD11036254
Catalog No.:AA004I5Y

87779-78-0 | 3-Bromo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one

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  • Technical Information
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  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004I5Y
Chemical Name:
3-Bromo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one
CAS Number:
87779-78-0
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
MDL Number:
MFCD11036254
SMILES:
Brc1ccc2c(c1)C(=O)CCCC2
Properties
Properties
 
BP:
328°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
XLogP3:
3.3  

Downstream Synthesis Route

[1]Gruber,Rene;Cagniant,Denise;Cagniant,Paul[BulletindelaSocieteChimiquedeFrance,1983,vol.2,#3-4,p.96-104]

[1]Shiraishi,Mitsuru;Aramaki,Yoshio;Seto,Masaki;Imoto,Hiroshi;Nishikawa,Youichi;Kanzaki,Naoyuki;Okamoto,Mika;Sawada,Hidekazu;Nishimura,Osamu;Baba,Masanori;Fujino,Masahiko[JournalofMedicinalChemistry,2000,vol.43,#10,p.2049-2063]

[2]Junker,Anna;Schepmann,Dirk;Yamaguchi,Junichiro;Itami,Kenichiro;Faust,Andreas;Kopka,Klaus;Wagner,Stefan;Wuensch,Bernhard[OrganicandBiomolecularChemistry,2014,vol.12,#1,p.177-186]

[3]Gruber,Rene;Cagniant,Denise;Cagniant,Paul[BulletindelaSocieteChimiquedeFrance,1983,vol.2,#3-4,p.96-104]

[4]Ebine,S.etal.[BulletinoftheChemicalSocietyofJapan,1968,vol.41,p.2942-2948]

[5]Boeckler,FrankM.;Ernst,Christoph;Hennig,Susanne;Ibrahim,TamerM.;Lange,Andreas[DrugDesign,DevelopmentandTherapy,2019,vol.13,p.4247-4263]

[1]Cornelius;Combs[SyntheticCommunications,1994,vol.24,#19,p.2777-2788]

[2]CurrentPatentAssignee:MERCK&COINC-WO2010/42475,2010,A1Locationinpatent:Page/Pagecolumn92

[3]CurrentPatentAssignee:QUALCOMMINC;MERCK&COINC-WO2012/151137,2012,A1Locationinpatent:Page/Pagecolumn55

[1]Ebine,S.etal.[BulletinoftheChemicalSocietyofJapan,1968,vol.41,p.2942-2948]

[1]Shiraishi,Mitsuru;Aramaki,Yoshio;Seto,Masaki;Imoto,Hiroshi;Nishikawa,Youichi;Kanzaki,Naoyuki;Okamoto,Mika;Sawada,Hidekazu;Nishimura,Osamu;Baba,Masanori;Fujino,Masahiko[JournalofMedicinalChemistry,2000,vol.43,#10,p.2049-2063]

Literature
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SDS
Tags:87779-78-0 Molecular Formula|87779-78-0 MDL|87779-78-0 SMILES|87779-78-0 3-Bromo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one