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4335-77-7,MFCD00194543
Catalog No.:AA00I88S

4335-77-7 | 2-Cyclohexylmandelic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$11.00   $8.00
- +
10g
95%
in stock  
$16.00   $11.00
- +
25g
95%
in stock  
$35.00   $25.00
- +
100g
95%
in stock  
$131.00   $92.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I88S
Chemical Name:
2-Cyclohexylmandelic acid
CAS Number:
4335-77-7
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD00194543
SMILES:
OC(=O)C(c1ccccc1)(C1CCCCC1)O
Properties
Computed Properties
 
Complexity:
265  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3  

Upstream Synthesis Route

[1]Patent:WO2008/112261,2008,A1,.Locationinpatent:Page/Pagecolumn38

[2]HelveticaChimicaActa,1947,vol.30,p.292,294

[3]CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120

[4]BioorganicandMedicinalChemistryLetters,2007,vol.17,#18,p.5256-5260

[1]Patent:US2009/247628,2009,A1,.Locationinpatent:Page/Pagecolumn53

[2]Patent:EP1205464,2002,A2,.Locationinpatent:Page15

[3]TetrahedronLetters,1998,vol.39,#20,p.3327-3330

[4]Tetrahedron,2001,vol.57,#6,p.1075-1081

[1]Patent:EP1205464,2002,A2,.Locationinpatent:Example8

[2]Patent:EP1205464,2002,A2,.Locationinpatent:Example18

[3]Patent:EP1205464,2002,A2,.Locationinpatent:Example19

[4]Patent:US2003/13911,2003,A1,

[1]Patent:EP1205464,2002,A2,.Locationinpatent:Example4

[2]Patent:EP1205464,2002,A2,.Locationinpatent:Example5

[3]Patent:EP1205464,2002,A2,.Locationinpatent:Example6

[1]Patent:US2003/13911,2003,A1,

[2]Patent:US2003/13911,2003,A1,

Downstream Synthesis Route

[1]Patent:WO2008/112261,2008,A1.Locationinpatent:Page/Pagecolumn38

[2]HelveticaChimicaActa,1947,vol.30,p.292,294

[3]CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120

[4]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.5256-5260

[1]CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120

[1]CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120

[1]PharmaceuticalChemistryJournal,1990,vol.24,p.170-173    Khimiko-FarmatsevticheskiiZhurnal,1990,vol.24,p.17-19

[1]PharmaceuticalChemistryJournal,1990,vol.24,p.170-173    Khimiko-FarmatsevticheskiiZhurnal,1990,vol.24,p.17-19

Literature

Title: Conclusive identification of the oxybutynin-hydrolyzing enzyme in human liver.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120501

Title: Separation of alpha-cyclohexylmandelic acid enantiomers using biphasic chiral recognition high-speed counter-current chromatography.

Journal: Journal of chromatography. A 20100430

Title: The role of melanin-concentrating hormone-1 receptors in the voiding reflex in rats.

Journal: The Journal of pharmacology and experimental therapeutics 20090101

Title: Allosteric kinetics of human carboxylesterase 1: species differences and interindividual variability.

Journal: Journal of pharmaceutical sciences 20081201

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: A practical synthesis of (S)-2-cyclohexyl-2-phenylglycolic acid via organocatalytic asymmetric construction of a tetrasubstituted carbon center.

Journal: Organic letters 20051027

Title: Oxybutynin chloride: alterations in drug delivery and improved therapeutic index.

Journal: Expert opinion on pharmacotherapy 20020401

Quotation Request
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SDS
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Tags:4335-77-7 Molecular Formula|4335-77-7 MDL|4335-77-7 SMILES|4335-77-7 2-Cyclohexylmandelic acid
Catalog No.: AA00I88S
4335-77-7,MFCD00194543
4335-77-7 | 2-Cyclohexylmandelic acid
Pack Size： 5g
Purity： 95%
in stock
$11.00 $8.00
Pack Size： 10g
Purity： 95%
in stock
$16.00 $11.00
Pack Size： 25g
Purity： 95%
in stock
$35.00 $25.00
Pack Size： 100g
Purity： 95%
in stock
$131.00 $92.00
Quantity
- +
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Technical Information
Catalog Number: AA00I88S
Chemical Name: 2-Cyclohexylmandelic acid
CAS Number: 4335-77-7
Molecular Formula: C14H18O3
Molecular Weight: 234.2909
MDL Number: MFCD00194543
SMILES: OC(=O)C(c1ccccc1)(C1CCCCC1)O
Properties
Complexity: 265  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 1  
XLogP3: 3  
Upstream Synthesis Route
31197-69-0    4335-77-7 

[1]Patent:WO2008/112261,2008,A1,.Locationinpatent:Page/Pagecolumn38

[2]HelveticaChimicaActa,1947,vol.30,p.292,294

[3]CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120

[4]BioorganicandMedicinalChemistryLetters,2007,vol.17,#18,p.5256-5260

10399-13-0    4335-77-7 

[1]Patent:US2009/247628,2009,A1,.Locationinpatent:Page/Pagecolumn53

[2]Patent:EP1205464,2002,A2,.Locationinpatent:Page15

[3]TetrahedronLetters,1998,vol.39,#20,p.3327-3330

[4]Tetrahedron,2001,vol.57,#6,p.1075-1081

424792-60-9    4335-77-7 

[1]Patent:EP1205464,2002,A2,.Locationinpatent:Example8

[2]Patent:EP1205464,2002,A2,.Locationinpatent:Example18

[3]Patent:EP1205464,2002,A2,.Locationinpatent:Example19

[4]Patent:US2003/13911,2003,A1,

424792-59-6    4335-77-7 

[1]Patent:EP1205464,2002,A2,.Locationinpatent:Example4

[2]Patent:EP1205464,2002,A2,.Locationinpatent:Example5

[3]Patent:EP1205464,2002,A2,.Locationinpatent:Example6

424792-59-6    15206-55-0    4335-77-7 

[1]Patent:US2003/13911,2003,A1,

[2]Patent:US2003/13911,2003,A1,

Downstream Synthesis Route
31197-69-0    4335-77-7 

[1]Patent:WO2008/112261,2008,A1.Locationinpatent:Page/Pagecolumn38

[2]HelveticaChimicaActa,1947,vol.30,p.292,294

[3]CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120

[4]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.5256-5260

106-93-4    4335-77-7    14657-85-3 

[1]CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120

107-99-3    4335-77-7    25520-98-3 

[1]CollectionofCzechoslovakChemicalCommunications,1964,vol.29,p.97-120

39743-20-9    4335-77-7    128887-53-6 

[1]PharmaceuticalChemistryJournal,1990,vol.24,p.170-173    Khimiko-FarmatsevticheskiiZhurnal,1990,vol.24,p.17-19

1458-63-5    4335-77-7    128887-54-7 

[1]PharmaceuticalChemistryJournal,1990,vol.24,p.170-173    Khimiko-FarmatsevticheskiiZhurnal,1990,vol.24,p.17-19

Literature fold

Title: Conclusive identification of the oxybutynin-hydrolyzing enzyme in human liver.

Journal: Drug metabolism and disposition: the biological fate of chemicals20120501

Title: Separation of alpha-cyclohexylmandelic acid enantiomers using biphasic chiral recognition high-speed counter-current chromatography.

Journal: Journal of chromatography. A20100430

Title: The role of melanin-concentrating hormone-1 receptors in the voiding reflex in rats.

Journal: The Journal of pharmacology and experimental therapeutics20090101

Title: Allosteric kinetics of human carboxylesterase 1: species differences and interindividual variability.

Journal: Journal of pharmaceutical sciences20081201

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

Title: A practical synthesis of (S)-2-cyclohexyl-2-phenylglycolic acid via organocatalytic asymmetric construction of a tetrasubstituted carbon center.

Journal: Organic letters20051027

Title: Oxybutynin chloride: alterations in drug delivery and improved therapeutic index.

Journal: Expert opinion on pharmacotherapy20020401

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