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6136-71-6,MFCD11113485
Catalog No.:AA00EJUU

6136-71-6 | 1-(3-(tert-Butyl)phenyl)ethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$45.00   $32.00
- +
5g
96%
in stock  
$177.00   $124.00
- +
10g
96%
in stock  
$338.00   $237.00
- +
25g
96%
in stock  
$824.00   $577.00
- +
  • 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:
AA00EJUU
Chemical Name:
1-(3-(tert-Butyl)phenyl)ethanone
CAS Number:
6136-71-6
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD11113485
SMILES:
CC(=O)c1cccc(c1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
188  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.3  

Upstream Synthesis Route

[1]ChineseJournalofChemistry,2017,vol.35,#9,p.1391-139

[2]Patent:WO2005/121106,2005,A1,.Locationinpatent:Page/Pagecolumn45-46

[1]JournalofMedicinalChemistry,2010,vol.53,#12,p.4793-4797

[2]RecueildesTravauxChimiquesdesPays-Bas,1969,vol.88,p.52-61

[1]ChemicalCommunications(London),1966,p.824-825

[2]JournaloftheChemicalSociety[Section]B:PhysicalOrganic,1969,p.1221-1228

[3],GmelinHandbook:Cr:Org.Verb.,1.6.1.2.1.2,page190-200,

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.5611,5612

[1]JournaloftheAmericanChemicalSociety,1954,vol.76,p.1906

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1989,vol.32,p.834-840

[1]JournalofMedicinalChemistry,2010,vol.53,p.4793-4797

[2]RecueildesTravauxChimiquesdesPays-Bas,1969,vol.88,p.52-61

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.5611,5612

[1]JournaloftheAmericanChemicalSociety,1954,vol.76,p.1906

53411-95-3   
η6-(t-butylbenzene)tricarbonylchromium 
  943-27-1    6136-71-6 

[1]AustralianJournalofChemistry,1986,vol.39,p.303-315

Literature
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SDS
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Tags:6136-71-6 Molecular Formula|6136-71-6 MDL|6136-71-6 SMILES|6136-71-6 1-(3-(tert-Butyl)phenyl)ethanone