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Home Carboxes 5685-38-1
5685-38-1,MFCD00066860
Catalog No.:AA00EBMI

5685-38-1 | 2-Phenylcyclopropanecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$16.00   $11.00
- +
250mg
97%
in stock  
$21.00   $15.00
- +
1g
97%
in stock  
$35.00   $25.00
- +
5g
97%
in stock  
$131.00   $92.00
- +
  • 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:
AA00EBMI
Chemical Name:
2-Phenylcyclopropanecarboxylic acid
CAS Number:
5685-38-1
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00066860
SMILES:
OC(=O)C1CC1c1ccccc1
NSC Number:
245855
Properties
Properties
 
BP:
317.1±31.0°C at 760 mmHg  
Form:
Solid  
MP:
88-92°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
182  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
XLogP3:
1.6  

Upstream Synthesis Route

[1]Phytochemistry(Elsevier),2012,vol.84,p.56-67,12

[1]Patent:WO2014/164867,2014,A1,.Locationinpatent:Paragraph0254

[2]HelveticaChimicaActa,1986,vol.69,p.1655-1665

[1]BeilsteinJournalofOrganicChemistry,2013,vol.9,p.602-607

[1]TetrahedronLetters,1991,vol.32,#28,p.3349-3352

[2]TetrahedronLetters,1991,vol.32,#28,p.3349-3352

[1]RussianJournalofOrganicChemistry,1996,vol.32,#2,p.158-164

Downstream Synthesis Route

[1]Patent:US6291520,2001,B1

[2]JournaloftheAmericanChemicalSociety,1988,vol.110,p.3601-3610

[3]Tetrahedron,1997,vol.53,p.3475-3486

[4]Patent:US5981573,1999,A

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO;LHEUREUXALEXANDRE-US2004/110754,2004,A1Locationinpatent:Page17-18

[1]Locationinpatent:experimentalpartCheng,Kejun;Lee,YongSok;Rothman,RichardB.;Dersch,ChristinaM.;Bittman,RossW.;Jacobson,ArthurE.;Rice,KennerC.[JournalofMedicinalChemistry,2011,vol.54,#4,p.957-969]

[1]JournalofMedicinalChemistry,2011,vol.54,p.957-969

[1]CurrentPatentAssignee:IMAGOBIOSCIENCESINC-WO2014/164867,2014,A1Locationinpatent:Paragraph0255

Literature

Title: Discovery of (1S,2R,3R)-2,3-dimethyl-2-phenyl-1-sulfamidocyclopropanecarboxylates: novel and highly selective aggrecanase inhibitors.

Journal: Journal of medicinal chemistry 20110428

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Efficient syntheses of four stable-isotope labeled (1R)-menthyl (1S,2S)-(+)-2-phenylcyclopropanecarboxylates.

Journal: Organic & biomolecular chemistry 20060721

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SDS
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Tags:5685-38-1 Molecular Formula|5685-38-1 MDL|5685-38-1 SMILES|5685-38-1 2-Phenylcyclopropanecarboxylic acid