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14381-41-0,MFCD00001351
Catalog No.:AA001ICC

14381-41-0 | Benzocyclobutyl-1-carboxylic acid

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250mg
98%
1 week  
$43.00   $30.00
- +
1g
98%
1 week  
$99.00   $70.00
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5g
98%
1 week  
$353.00   $247.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001ICC
Chemical Name:
Benzocyclobutyl-1-carboxylic acid
CAS Number:
14381-41-0
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00001351
SMILES:
OC(=O)C1Cc2c1cccc2
NSC Number:
186237
Properties
Properties
 
BP:
318.6 °C at 760 mmHg  
Form:
Solid  
MP:
75-77 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
176  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1  

Downstream Synthesis Route

[1]Horneretal.[ChemischeBerichte,1958,vol.91,p.430,436]

[2]Bubb,W.A.;Sternhell,S.[AustralianJournalofChemistry,1976,vol.29,p.1685-1697]

[3]Skorcz,J.A.;Robertson,J.E.[JournalofMedicinalChemistry,1965,vol.8,p.255-257]

[1]Cavaetal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.2257,2262]Horneretal.[ChemischeBerichte,1958,vol.91,p.430,436]

[2]Weygand,F.;Bestmann,H.J.[AngewandteChemie,1960,vol.72,p.535-554]

[3]Spangler,R.-J.etal.[JournalofOrganicChemistry,1977,vol.42,p.1697-1703]

[1]Skorcz,J.A.;Robertson,J.E.[JournalofMedicinalChemistry,1965,vol.8,p.255-257]Gutsche,C.D.etal.[Tetrahedron,1962,vol.18,p.617-627]

[2]Jefford,CharlesW.;Bernardinelli,Gerald;Wang,Ying;Spellmeyer,DavidC.;Buda,Andrzej;Houk[JournaloftheAmericanChemicalSociety,1992,vol.114,#4,p.1157-1165]

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2006/24628,2006,A1Locationinpatent:Page/Pagecolumn23-24

[4]Huang,Adrian;Moretto,Alessandro;Janz,Kristin;Lowe,Michael;Bedard,PatriciaW.;Tam,Steve;Di,Li;Clerin,Valerie;Sushkova,Natalia;Tchernychev,Boris;Tsao,DesireeH.H.;KeithJr.,JamesC.;Shaw,GrayD.;Schaub,RobertG.;Wang,Qin;Kaila,Neelu[JournalofMedicinalChemistry,2010,vol.53,#16,p.6003-6017]

[5]Katayev,Dmitry;Jia,Yi-Xia;Sharma,AkhileshK.;Banerjee,Dipshikha;Besnard,Celine;Sunoj,RaghavanB.;Kuendig,E.Peter[Chemistry-AEuropeanJournal,2013,vol.19,#36,p.11916-11927]

[1]JournalofOrganicChemistry,1977,vol.42,p.1697-1703

941-69-5    14381-41-0    4385-35-7   
(3aR,4S,9aR)-1,3-Dioxo-2-phenyl-2,3,3a,4,9,9a-hexahydro-1H-benzofisoindole-4-carboxylicacid 
 
(3aS,4S,9aS)-1,3-Dioxo-2-phenyl-2,3,3a,4,9,9a-hexahydro-1H-benzofisoindole-4-carboxylicacid 

[1]Jefford,CharlesW.;Bernardinelli,Gerald;Wang,Ying;Spellmeyer,DavidC.;Buda,Andrzej;Houk[JournaloftheAmericanChemicalSociety,1992,vol.114,#4,p.1157-1165]

Literature
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