Home Carboxes 55579-71-0
55579-71-0,MFCD00111880
Catalog No.:AA00D8L5

55579-71-0 | 5-(3-Chlorophenyl)cyclohexane-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$93.00   $65.00
- +
1g
95%
in stock  
$103.00   $72.00
- +
5g
98%
in stock  
$411.00   $288.00
- +
10g
98%
in stock  
$710.00   $497.00
- +
25g
98%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D8L5
Chemical Name:
5-(3-Chlorophenyl)cyclohexane-1,3-dione
CAS Number:
55579-71-0
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
MDL Number:
MFCD00111880
SMILES:
O=C1CC(=O)CC(C1)c1cccc(c1)Cl
Properties
Properties
 
BP:
383.3°C at 760 mmHg  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2  

Downstream Synthesis Route

[1]Duerckheimer;Raether;Seliger;Seidenath[Arzneimittel-Forschung/DrugResearch,1980,vol.30,#7,p.1041-1046]

[1]Zhang,Wei;Pugh,Georgia[TetrahedronLetters,1999,vol.40,#43,p.7595-7598]

[2]Zhang,Wei;Pugh,Georgia[Tetrahedron,2003,vol.59,#24,p.4237-4247]

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

CASUnavailable 
  75-09-2    55579-71-0    121-44-8    169599-84-2 

[1]CurrentPatentAssignee:PARKEDAVIDUS;PFIZERINC-US5789440,1998,A

[2]CurrentPatentAssignee:PARKEDAVIDUS;PFIZERINC-US5840751,1998,A

5334-43-0    55579-71-0   
4-amino-7-(3-chlorophenyl)-1-phenyl-1,6,7,8-tetrahydro-5H-pyrazolo3,4-bquinolin-5-one 

[1]ChemistryofHeterocyclicCompounds,2017,vol.53,p.207-212    Khim.Geterotsikl.Soedin.,2017,vol.53,p.207-212,6

Literature

Title: Cyclohexane 1,3-diones and their inhibition of mutant SOD1-dependent protein aggregation and toxicity in PC12 cells.

Journal: Bioorganic & medicinal chemistry 20120115

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:55579-71-0 Molecular Formula|55579-71-0 MDL|55579-71-0 SMILES|55579-71-0 5-(3-Chlorophenyl)cyclohexane-1,3-dione