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1774-12-5,MFCD00104791
Catalog No.:AA002585

1774-12-5 | 5-(4-Methoxyphenyl)cyclohexane-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$162.00   $113.00
- +
5g
98%
in stock  
$394.00   $276.00
- +
25g
98%
in stock  
$1,540.00   $1,078.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002585
Chemical Name:
5-(4-Methoxyphenyl)cyclohexane-1,3-dione
CAS Number:
1774-12-5
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD00104791
SMILES:
COc1ccc(cc1)C1CC(=O)CC(=O)C1
NSC Number:
405978
Properties
Properties
 
BP:
394.4±42.0°C at 760 mmHg  
Form:
Solid  
MP:
179.5-183.5°C(lit.);  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
261  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:FONDJEROMELEJEUNE-WO2013/68592,2013,A1Locationinpatent:Page/Pagecolumn15-16

[2]Chaudhuri[JournaloftheIndianChemicalSociety,1944,vol.21,p.341,343]

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

[1]CurrentPatentAssignee:EVERONBIOSCIENCESINC-WO2017/189553,2017,A1Locationinpatent:Paragraph0355;0356

[2]Arakawa;Irie[PharmaceuticalBulletin,1957,vol.5,p.524,526]

[3]Arakawa;Irie[PharmaceuticalBulletin,1957,vol.5,p.524,526]

[4]Arakawa;Irie[PharmaceuticalBulletin,1957,vol.5,p.524,526]

[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]Locationinpatent:schemeortableHan,Guang-Fan;Cui,Bin;Chen,Li-Zhuang;Wang,Rui-Hua;Jin,Yan[JournalofHeterocyclicChemistry,2011,vol.48,#2,p.312-316]Locationinpatent:schemeortableHan,Guang-Fan;Cui,Bin;Chen,Li-Zhuang;Hu,Xiao-Lei[JournalofHeterocyclicChemistry,2012,vol.49,#1,p.195-199]

[4]Cui,Bin;Chen,Li-Zhuang;Hu,Xiao-Lei;Wang,Ming;Han,Guang-Fan[JournalofHeterocyclicChemistry,2012,vol.49,#4,p.900-904]

[5]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]

6286-46-0    1774-12-5   
2-bromo-4,5-dimethoxy-benzoicacid5-(4-methoxy-phenyl)-3-oxo-cyclohex-1-enylester 

[1]TetrahedronLetters,1999,vol.40,p.7595-7598

[2]Tetrahedron,2003,vol.59,p.4237-4247

[1]JournalofFluorineChemistry,2006,vol.127,p.1564-1569

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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