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61888-37-7,MFCD00111717
Catalog No.:AA00EA3X

61888-37-7 | 5-(4-Methylphenyl)cyclohexane-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$37.00   $26.00
- +
250mg
97%
in stock  
$58.00   $41.00
- +
5g
97%
in stock  
$723.00   $506.00
- +
25g
97%
in stock  
$2,672.00   $1,870.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EA3X
Chemical Name:
5-(4-Methylphenyl)cyclohexane-1,3-dione
CAS Number:
61888-37-7
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
MDL Number:
MFCD00111717
SMILES:
O=C1CC(CC(=O)C1)c1ccc(cc1)C
Properties
Properties
 
BP:
372.5°C at 760 mmHg  
Form:
Solid  
MP:
176-179°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
246  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Downstream Synthesis Route
C14H12O4(2-)*2Na(1+) 
  61888-37-7 

[1]Kesten,StephenJ.;Degnan,MargaretJ.;Hung,Jocelyn;McNamara,DennisJ.;Ortwine,DanielF.;etal.[JournalofMedicinalChemistry,1992,vol.35,#19,p.3429-3447]

[1]Kesten,StephenJ.;Degnan,MargaretJ.;Hung,Jocelyn;McNamara,DennisJ.;Ortwine,DanielF.;etal.[JournalofMedicinalChemistry,1992,vol.35,#19,p.3429-3447]

[1]Tamura,Y.etal.[JournalofMedicinalChemistry,1977,vol.20,p.709-714]

4-(p-tolyl)-3-buten-2-one 
  105-53-3    61888-37-7 

[1]El-Deeb,IbrahimYussif;Funakoshi,Tatsuya;Shimomoto,Yuya;Matsubara,Ryosuke;Hayashi,Masahiko[JournalofOrganicChemistry,2017,vol.82,#5,p.2630-2640]

[2]Tamura,Y.etal.[JournalofMedicinalChemistry,1977,vol.20,p.709-714]

[3]Fan,Xuesen;He,Yan;Cui,Liangyan;Guo,Shenghai;Wang,Jianji;Zhang,Xinying[EuropeanJournalofOrganicChemistry,2012,#4,p.673-677]

[4]Chen,Kaixian;Chen,Zhifeng;Dang,Yongjun;Ding,Hong;Fan,Shijie;Hu,Junchi;Jiang,Hualiang;Li,Lianchun;Li,Quanfu;Lin,Tingting;Lu,Junyan;Luo,Cheng;Otomo,Chinatsu;Otomo,Takanori;Tan,Minjia;Tao,Hongru;Wan,Wei;Wen,Yi;Xie,Yuli;Xu,Pan;Yao,Zhiyi;Yue,Liyan;Zhang,Bidong;Zhang,Naixia;Zhang,Yuanyuan;Zhou,Bing;Zhu,Mingrui[AngewandteChemie-InternationalEdition,2021,vol.60,#50,p.26105-26114][Angew.Chem.,2021,vol.133,#50,p.26309-26318]

61888-37-7    609-15-4   
3-methyl-4-oxo-6-<i>p</i>-tolyl-4,5,6,7-tetrahydro-benzofuran-2-carboxylicacidethylester 

[1]Hayakawa,Ichiro;Shioya,Rieko;Agatsuma,Toshinori;Furukawa,Hidehiko;Naruto,Shunji;Sugano,Yuichi[BioorganicandMedicinalChemistryLetters,2004,vol.14,#17,p.4383-4387]

Literature
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Tags:61888-37-7 Molecular Formula|61888-37-7 MDL|61888-37-7 SMILES|61888-37-7 5-(4-Methylphenyl)cyclohexane-1,3-dione