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Home Other Building Blocks 4165-96-2
4165-96-2,MFCD00002718
Catalog No.:AA003JSW

4165-96-2 | 3-Phenylglutaric acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$64.00   $45.00
- +
5g
95%
in stock  
$223.00   $156.00
- +
25g
95%
in stock  
$762.00   $534.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JSW
Chemical Name:
3-Phenylglutaric acid
CAS Number:
4165-96-2
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD00002718
SMILES:
OC(=O)CC(c1ccccc1)CC(=O)O
Properties
Properties
 
BP:
359.4°C at 760 mmHg  
Form:
Solid  
MP:
140-143 °C(lit.)  
Refractive Index:
1.5020 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Smith;Kadaba[JournalofOrganicChemistry,1956,vol.21,p.704]

[1]CurrentPatentAssignee:IGTPHARMA-US6699909,2004,B1Locationinpatent:Page/Pagecolumn28

[2]Lorentzen,RonaldJ.;Brewster,JamesH.;Smith,HowardE.[JournaloftheAmericanChemicalSociety,1992,vol.114,#6,p.2181-2187]

[3]Speight;Stevenson;Thorpe[JournaloftheChemicalSociety,1924,vol.125,p.2191]

[4]Jackson;Kenner[JournaloftheChemicalSociety,1928,p.578]

[5]Thompson,HughW.;Brunskill,AndrewP.J.;Lalancette,RogerA.[ActaCrystallographica,SectionC:CrystalStructureCommunications,1998,vol.54,#6,p.829-831]

[6]Pramanik;Mukherjee[JournaloftheIndianChemicalSociety,1997,vol.74,#9,p.734-735]

[7]v.Braun;Weissbach[ChemischeBerichte,1931,vol.64,p.1785,1788]

[1]Patent:US2007/249593,2007,A1.Locationinpatent:Page/Pagecolumn26

[1]Patent:EP2759533,2014,A1.Locationinpatent:Paragraph0476;0477

4165-96-2    20925-27-3   
N-(3-chloro-4-cyanophenyl)-N'-(9-ethyl-9H-carbazol-3-yl)-3-phenylpentanediamide 

[1]Patent:EP2759533,2014,A1

Literature

Title: Dimethyl 3-phenyl-penta-nedioate.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: SAR and X-ray. A new approach combining fragment-based screening and rational drug design: application to the discovery of nanomolar inhibitors of Src SH2.

Journal: Journal of medicinal chemistry 20020606

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SDS
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