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Home Carboxes 79560-18-2
79560-18-2,MFCD09833046
Catalog No.:AA0051AN

79560-18-2 | 4-(3,4-Dichlorophenyl)-4-phenylbutanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95+%
2 weeks  
$224.00   $157.00
- +
250mg
95+%
2 weeks  
$314.00   $220.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0051AN
Chemical Name:
4-(3,4-Dichlorophenyl)-4-phenylbutanoic acid
CAS Number:
79560-18-2
Molecular Formula:
C16H14Cl2O2
Molecular Weight:
309.1872
MDL Number:
MFCD09833046
SMILES:
OC(=O)CCC(c1ccc(c(c1)Cl)Cl)c1ccccc1
Properties
Properties
 
BP:
432.2±40.0°C at 760 mmHg  
Form:
Solid  
MP:
118-120℃(Solv: hexane (110-54-3))  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
316  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
5.2  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,1984,vol.27,#11,p.1508-1515

[1]Patent:US4777288,1988,A,

[2]Patent:US4839104,1989,A,

[3]Patent:EP295050,1991,B1,

[1]AdvancedSynthesisandCatalysis,2009,vol.351,#9,p.1217-1223

[1]JournalofOrganicChemistry,1990,vol.55,#16,p.4971-4973

[1]JournalofMedicinalChemistry,1984,vol.27,#11,p.1508-1515

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1984,vol.27,p.1508-1515

[2]JournalofOrganicChemistry,2001,vol.66,p.6988-6993

[1]JournalofMedicinalChemistry,1984,vol.27,p.1508-1515

[1]JournalofOrganicChemistry,1990,vol.55,p.4971-4973

[1]Tetrahedron,1992,vol.48,p.10239-10248

(Z)-4-(3,4-dichlorophenyl)-4-phenyl-but-3-enoicacid 
  79560-18-2 

[1]Patent:WO2007/119247,2007,A2.Locationinpatent:Page/Pagecolumn21-22

Literature
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SDS
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Tags:79560-18-2 Molecular Formula|79560-18-2 MDL|79560-18-2 SMILES|79560-18-2 4-(3,4-Dichlorophenyl)-4-phenylbutanoic acid