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1619-34-7,MFCD00151326
Catalog No.:AA0037MZ

1619-34-7 | 3-Quinuclidinol

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1mg
>97%
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$299.00   $209.00
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5mg
>97%
1 week  
$319.00   $223.00
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10mg
>97%
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$358.00   $250.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0037MZ
Chemical Name:
3-Quinuclidinol
CAS Number:
1619-34-7
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD00151326
SMILES:
OC1CN2CCC1CC2
NSC Number:
93905
Properties
Properties
 
BP:
235.98°C (rough estimate)  
Form:
Solid  
MP:
220-223 °C(lit.)  
Refractive Index:
1.4790 (estimate)  
Stability:
Air Sensitive  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
108  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.2  

Literature

Title: Preparation of novel meta- and para-substituted N-benzyl protected quinuclidine esters and their resolution with butyrylcholinesterase.

Journal: Molecules (Basel, Switzerland) 20120116

Title: (2Z,3E)-2-{[1-(4-Chloro-benz-yl)-1H-indol-3-yl]methyl-idene}quinuclidin-3-one oxime.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: 3-D-QSAR and docking studies on the neuronal choline transporter.

Journal: Bioorganic & medicinal chemistry letters 20100815

Title: 3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydr-oxy-1-phenyl-indolin-2-one ethanol solvate.

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: rac-2-(2-Amino-4-oxo-4,5-dihydro-1,3-thia-zol-5-yl)-2-hydroxy-indane-1,3-dione.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: Stereoselective synthesis of (R)-3-quinuclidinol through asymmetric reduction of 3-quinuclidinone with 3-quinuclidinone reductase of Rhodotorula rubra.

Journal: Applied microbiology and biotechnology 20090601

Title: (Z)-Methyl 4-({3-[(2,5-dioxoimidazolidin-4-yl-idene)meth-yl]-1H-indol-1-yl}meth-yl)benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20090101

Title: rac-(Z)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol.

Journal: Acta crystallographica. Section C, Crystal structure communications 20070801

Title: Aza-Morita-Baylis-Hillman reactions and cyclizations of conjugated dienes activated by sulfone, ester, and keto groups.

Journal: The Journal of organic chemistry 20070427

Title: Preparation of enantiomers of quinuclidin-3-Ol derivatives and their interactions with human cholinesterases.

Journal: Chemico-biological interactions 20051215

Title: Morita-Baylis-Hillman reaction and cyclization of 1-(p-toluenesulfonyl)-1,3-butadiene with aldimines.

Journal: Organic letters 20050609

Title: Molecular modeling studies on the active binding site of the blood-brain barrier choline transporter.

Journal: Bioorganic & medicinal chemistry letters 20040621

Title: Correlation between pK(a) and reactivity of quinuclidine-based catalysts in the Baylis-Hillman reaction: discovery of quinuclidine as optimum catalyst leading to substantial enhancement of scope.

Journal: The Journal of organic chemistry 20030207

Title: Capillary electrophoresis/mass spectrometry: a promising tool for the control of some physiologically hazardous compounds. I-derivatives of 3-quinuclidinol.

Journal: Journal of mass spectrometry : JMS 20021201

Title: Rate acceleration of the Baylis-Hillman reaction in polar solvents (water and formamide). Dominant role of hydrogen bonding, not hydrophobic effects, is implicated.

Journal: The Journal of organic chemistry 20020125

Title: Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.

Journal: Journal of medicinal chemistry 19930430

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