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13027-73-1,MFCD30834466
Catalog No.:AA00HRY8

13027-73-1 | Methyl 2-cyclohexyl-2-phenylacetate

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HRY8
Chemical Name:
Methyl 2-cyclohexyl-2-phenylacetate
CAS Number:
13027-73-1
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
MDL Number:
MFCD30834466
SMILES:
COC(=O)C(c1ccccc1)C1CCCCC1
Properties
Computed Properties
 
Complexity:
237  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:CIBAPHARMACEUTICALPRODUCTS,INC.-US2346027,1940,A

[2]Sandoval[Ciencia,1943,vol.4,p.107]

[1]Miescher;Hoffmann[HelveticaChimicaActa,1941,vol.24,p.458,464]

Phenyl-((1S,2R)-2-phenylsulfanyl-cyclohexyl)-aceticacidmethylester 
  13027-73-1 

[1]Patel,ShaileshK.;Paterson,Ian[TetrahedronLetters,1983,vol.24,#12,p.1315-1318]

13027-73-1    158786-34-6   
Cyclohexyl-phenyl-aceticacid5-(4-hydroxy-piperidin-1-ylmethyl)-furan-2-ylmethylester 

[1]Feriani,Aldo;Gaviraghi,Giovanni;Toson,Giancarlo;Mor,Marco;Barbieri,Annalisa;etal.[JournalofMedicinalChemistry,1994,vol.37,#25,p.4278-4287]

[1]Selmani,Aymane;Schoetz,MarkusD.;Queen,AdeleE.;Schoenebeck,Franziska[ACSCatalysis,2022,vol.12,#9,p.4833-4839]

[2]Duhamel,L.etal.[BulletindelaSocieteChimiquedeFrance,1973,p.2460-2466]

Literature
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SDS
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Tags:13027-73-1 Molecular Formula|13027-73-1 MDL|13027-73-1 SMILES|13027-73-1 Methyl 2-cyclohexyl-2-phenylacetate
Catalog No.: AA00HRY8
13027-73-1,MFCD30834466
13027-73-1 | Methyl 2-cyclohexyl-2-phenylacetate
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00HRY8
Chemical Name: Methyl 2-cyclohexyl-2-phenylacetate
CAS Number: 13027-73-1
Molecular Formula: C15H20O2
Molecular Weight: 232.3181
MDL Number: MFCD30834466
SMILES: COC(=O)C(c1ccccc1)C1CCCCC1
Properties
Complexity: 237  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.5  
Downstream Synthesis Route
3469-00-9    13027-73-1 

[1]CurrentPatentAssignee:CIBAPHARMACEUTICALPRODUCTS,INC.-US2346027,1940,A

[2]Sandoval[Ciencia,1943,vol.4,p.107]

76-89-1    13027-73-1 

[1]Miescher;Hoffmann[HelveticaChimicaActa,1941,vol.24,p.458,464]

Phenyl-((1S,2R)-2-phenylsulfanyl-cyclohexyl)-aceticacidmethylester 
  13027-73-1 

[1]Patel,ShaileshK.;Paterson,Ian[TetrahedronLetters,1983,vol.24,#12,p.1315-1318]

13027-73-1    158786-34-6   
Cyclohexyl-phenyl-aceticacid5-(4-hydroxy-piperidin-1-ylmethyl)-furan-2-ylmethylester 

[1]Feriani,Aldo;Gaviraghi,Giovanni;Toson,Giancarlo;Mor,Marco;Barbieri,Annalisa;etal.[JournalofMedicinalChemistry,1994,vol.37,#25,p.4278-4287]

13027-73-1    4442-83-5 

[1]Selmani,Aymane;Schoetz,MarkusD.;Queen,AdeleE.;Schoenebeck,Franziska[ACSCatalysis,2022,vol.12,#9,p.4833-4839]

[2]Duhamel,L.etal.[BulletindelaSocieteChimiquedeFrance,1973,p.2460-2466]

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