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4341-24-6,MFCD00010379
Catalog No.:AA003769

4341-24-6 | 5-Methylcyclohexane-1,3-dione

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1g
98%
in stock  
$11.00   $8.00
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5g
98%
in stock  
$26.00   $18.00
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25g
98%
in stock  
$82.00   $57.00
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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:
AA003769
Chemical Name:
5-Methylcyclohexane-1,3-dione
CAS Number:
4341-24-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00010379
SMILES:
CC1CC(=O)CC(=O)C1
Properties
Properties
 
BP:
235.7±23.0°C at 760 mmHg  
Form:
Solid  
MP:
126-130 °C(lit.)  
Refractive Index:
1.4660 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
133  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
XLogP3:
0.4  

Downstream Synthesis Route

[1]Stetter;Meisel[ChemischeBerichte,1957,vol.90,p.2928,2930]

[1]JournaloftheAmericanChemicalSociety,1951,vol.73,p.3632

[1]Majetich,George;Defauw,Jean;Ringold,Clay[JournalofOrganicChemistry,1988,vol.53,#1,p.50-68]

[2]Leed,AndrewR.;Boettger,SusanD.;Ganem,Bruce[JournalofOrganicChemistry,1980,vol.45,#6,p.1098-1106]

[3]CurrentPatentAssignee:BIOGENIDECINC.-WO2019/104030,2019,A1Locationinpatent:Page/Pagecolumn113

[4]Schroeder,SybrinP.;Taylor,NicholasJ.;Jackson,Paula;Franckevicius,Vilius[OrganicLetters,2013,vol.15,#14,p.3778-3781]

[5]Sonn[ChemischeBerichte,1931,vol.64,p.1851]

[6]Cleaver,L.etal.[AustralianJournalofChemistry,1976,vol.29,p.1989-2001]

[1]CurrentPatentAssignee:PFIZERINC-DE2201668,1972,A1[Chem.Abstr.,1973,vol.78,#71706][Chem.Abstr.,1973,vol.78,#71706]

[1]Foote,KevinM;Hayes,ChristopherJ;John,MatthewP;Pattenden,Gerald[Organicandbiomolecularchemistry,2003,vol.1,#22,p.3917-3948]

[2]Gould,StevenJ.;Cheng,Xing-Chun;Melville,Chris[JournaloftheAmericanChemicalSociety,1994,vol.116,#5,p.1800-1804]

[3]Mansilla,Horacio;Afonso,MariaM.[SyntheticCommunications,2008,vol.38,#15,p.2607-2618]

[4]Majetich,George;Lowery,Derric;Khetani,Vikram;Song,Jee-Seop;Hull,Kenneth;Ringold,Clay[JournalofOrganicChemistry,1991,vol.56,#12,p.3988-4001]

[5]Brenninger,Christoph;Pöthig,Alexander;Bach,Thorsten[AngewandteChemie-InternationalEdition,2017,vol.56,#15,p.4337-4341][Angew.Chem.,2017,vol.129,p.4401-4405]

[6]Guingant,Andre;Barreto,MarieManuel[TetrahedronLetters,1987,vol.28,#27,p.3107-3110]

[7]Maji,Biplab;Yamamoto,Hisashi[JournaloftheAmericanChemicalSociety,2015,vol.137,#50,p.15957-15963]

Literature

Title: 3-(4-Chloro-anilino)-2,5-dimethyl-cyclo-hex-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: 2,5-Dimethyl-3-[4-(trifluoro-meth-oxy)anilino]-cyclo-hex-2-enone.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: Total synthesis of (-)-lycoperine A.

Journal: Organic letters 20100101

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SDS
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