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42968-14-9,MFCD00136082
Catalog No.:AA01BCN5

42968-14-9 | 3-Buten-2-one, 3-methyl-4-phenyl-, (3E)-

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01BCN5
Chemical Name:
3-Buten-2-one, 3-methyl-4-phenyl-, (3E)-
CAS Number:
42968-14-9
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
MDL Number:
MFCD00136082
SMILES:
C/C(=C\c1ccccc1)/C(=O)C
NSC Number:
167115
FEMA Number:
2734
Properties
Computed Properties
 
Complexity:
185  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.1  

Downstream Synthesis Route

[1]BulletinoftheChemicalSocietyofJapan,1987,vol.60,p.3421-3422

[2]Synthesis,1984,p.308-310

[3]AnnalesdeChimie(Cachan,France),1949,vol.<12>4,p.242    ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1948,vol.226,p.500

[4]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1944,vol.218,p.679

[5]JournaloftheChemicalSociety.PerkintransactionsI,1987,p.699-706

[6]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.1747-1752

[7]JournaloftheChemicalSociety,1960,p.1195-1200

[8]JournalofOrganicChemistry,2010,vol.75,p.2981-2988

[9]OrganicandBiomolecularChemistry,2013,vol.11,p.2988-2996

[10]TetrahedronAsymmetry,2017,vol.28,p.939-944

[1]JournalofOrganicChemistry,2010,vol.75,p.2981-2988

[1]JournaloftheAmericanChemicalSociety,2010,vol.132,p.7852-7853

42968-14-9    21869-55-6   
(2S,3E)-3-methyl-4-phenylbut-3-en-2-ol 
  174848-61-4 

[1]JournaloftheAmericanChemicalSociety,2010,vol.132,p.7852-7853

42968-14-9    15174-47-7   
(1E,6E)-5-hydroxy-2,6-dimethyl-1,7-diphenylhepta-1,6-dien-3-one 

[1]Merad,Jérémy;Borkar,Prashant;BouyonYenda,Tracy;Roux,Christèle;Pons,Jean-Marc;Parrain,Jean-Luc;Chuzel,Olivier;Bressy,Cyril[OrganicLetters,2015,vol.17,#9,p.2118-2121]

[2]Merad,Jérémy;Borkar,Prashant;Caijo,Frédéric;Pons,Jean-Marc;Parrain,Jean-Luc;Chuzel,Olivier;Bressy,Cyril[AngewandteChemie-InternationalEdition,2017,vol.56,#50,p.16052-16056][Angew.Chem.,2017,vol.129,#50,p.16268-16272,5]

Literature
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SDS
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Tags:42968-14-9 Molecular Formula|42968-14-9 MDL|42968-14-9 SMILES|42968-14-9 3-Buten-2-one, 3-methyl-4-phenyl-, (3E)-