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27462-91-5,MFCD06660538
Catalog No.:AA00BERB

27462-91-5 | 5-(3-Methoxyphenyl)cyclohexane-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$75.00   $53.00
- +
5g
98%
in stock  
$270.00   $189.00
- +
10g
98%
in stock  
$477.00   $334.00
- +
25g
98%
in stock  
$1,092.00   $764.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BERB
Chemical Name:
5-(3-Methoxyphenyl)cyclohexane-1,3-dione
CAS Number:
27462-91-5
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD06660538
SMILES:
COc1cccc(c1)C1CC(=O)CC(=O)C1
Properties
Properties
 
BP:
391°C at 760 mmHg  
Storage:
Keep in dry area;-20 ℃;  

Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route
23474-98-8    27462-91-5   
7-chloro-1,2-dihydro-2-(3-methoxyphenyl)-4(3H,10H)-phenothiazinone 

[1]Domínguez,JoséN.;López,Simón;Charris,Jaime;Iarruso,Lúcido;Lobo,Gricela;Semenov,Andrey;Olson,JedE.;Rosenthal,PhilipJ.[JournalofMedicinalChemistry,1997,vol.40,#17,p.2726-2732]

27462-91-5    33264-82-3   
7-fluoro-1,2-dihydro-2-(3-methoxyphenyl)-4(3H,10H)-phenothiazinone 

[1]Domínguez,JoséN.;López,Simón;Charris,Jaime;Iarruso,Lúcido;Lobo,Gricela;Semenov,Andrey;Olson,JedE.;Rosenthal,PhilipJ.[JournalofMedicinalChemistry,1997,vol.40,#17,p.2726-2732]

27462-91-5    609-15-4   
6-(3-methoxy-phenyl)-3-methyl-4-oxo-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]

27462-91-5   
7-fluoro-1,2-dihydro-2-(3-methoxyphenyl)-4(3H,10H)-phenothiazinone5,5-dioxide 

[1]Domínguez,JoséN.;López,Simón;Charris,Jaime;Iarruso,Lúcido;Lobo,Gricela;Semenov,Andrey;Olson,JedE.;Rosenthal,PhilipJ.[JournalofMedicinalChemistry,1997,vol.40,#17,p.2726-2732]

[1]Canela,María-Dolores;Pérez-Pérez,María-Jesús;Noppen,Sam;Sáez-Calvo,Gonzalo;Díaz,J.Fernando;Camarasa,María-José;Liekens,Sandra;Priego,Eva-María[JournalofMedicinalChemistry,2014,vol.57,#10,p.3924-3938]

Literature
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SDS
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Tags:27462-91-5 Molecular Formula|27462-91-5 MDL|27462-91-5 SMILES|27462-91-5 5-(3-Methoxyphenyl)cyclohexane-1,3-dione