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79047-41-9,MFCD01934397
Catalog No.:AA003BJM

79047-41-9 | (2-Butyl-4-chloro-1H-imidazol-5-yl)methanol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$23.00   $16.00
- +
1g
98%
in stock  
$46.00   $32.00
- +
5g
98%
in stock  
$150.00   $105.00
- +
25g
98%
in stock  
$523.00   $366.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003BJM
Chemical Name:
(2-Butyl-4-chloro-1H-imidazol-5-yl)methanol
CAS Number:
79047-41-9
Molecular Formula:
C8H13ClN2O
Molecular Weight:
188.6546
MDL Number:
MFCD01934397
SMILES:
CCCCc1nc(c([nH]1)CO)Cl
Properties
Properties
 
BP:
407.7 °C at 760 mmHg  
Form:
Solid  
MP:
147-151 °C(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
134  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Ambalavanan;Palani;Ponnuswamy;Thirumuruhan;Yathirajan;Prabhuswamy;Raju;Nagaraja;Mohana[MolecularCrystalsandLiquidCrystals,2003,vol.393,p.75-82]

[2]Carini,DavidJ.;Duncia,JohnV.;Aldrich,PaulE.;Chiu,AndrewT.;Johnson,AlexanderL.;etal.[JournalofMedicinalChemistry,1991,vol.34,#8,p.2525-2547]

[1]Thomas;Allott;Gibson;Major;Masek;Oldham;Ratcliffe;Roberts;Russell;Thomason[JournalofMedicinalChemistry,1992,vol.35,#5,p.877-885]

[1]Carini,DavidJ.;Duncia,JohnV.;Aldrich,PaulE.;Chiu,AndrewT.;Johnson,AlexanderL.;etal.[JournalofMedicinalChemistry,1991,vol.34,#8,p.2525-2547]

[2]Miller,RossA;Hoerrner,RScott[Organicletters,2003,vol.5,#3,p.285-287]

[3]Anderson,Ross;Griffin,Ken;Johnston,Peter;Alsters,PaulL.[AdvancedSynthesisandCatalysis,2003,vol.345,#4,p.517-523]

[4]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US5728842,1998,A

[1]Boschelli,DianeH.;Connor,DavidT.[Heterocycles,1993,vol.35,#1,p.121-124]

[2]Shi;Frey;Tschaen;Verhoeven[SyntheticCommunications,1993,vol.23,#18,p.2623-2630]

[3]CurrentPatentAssignee:MitsubishiChemicalCorp(in:MCHCGroup);MITSUBISHICHEMICALHOLDINGSCORPORATION-US5395943,1995,A

[1]Lin;Rampersaud;Zimmerman;Steinberg;Boyd[JournalofMedicinalChemistry,1992,vol.35,#14,p.2658-2667]

Literature

Title: New method for the synthesis of diversely functionalized imidazoles from N-acylated alpha-aminonitriles.

Journal: Organic letters 20040318

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SDS
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