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43076-61-5,MFCD00018996
Catalog No.:AA00I87S

43076-61-5 | 1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one

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Purity
Availability
Price(USD)
Quantity
  
5g
96%
in stock  
$8.00   $6.00
- +
100g
96%
in stock  
$76.00   $54.00
- +
  • 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:
AA00I87S
Chemical Name:
1-(4-(tert-Butyl)phenyl)-4-chlorobutan-1-one
CAS Number:
43076-61-5
Molecular Formula:
C14H19ClO
Molecular Weight:
238.7531
MDL Number:
MFCD00018996
SMILES:
ClCCCC(=O)c1ccc(cc1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
221  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
4.2  

Upstream Synthesis Route

[1]Patent:WO2011/121099,2011,A2,.Locationinpatent:Page/Pagecolumn39-40

[2]Patent:EP2371817,2011,A1,.Locationinpatent:Page/Pagecolumn27

[1]Patent:WO2011/121099,2011,A2,.Locationinpatent:Page/Pagecolumn42

[1]Patent:EP2371817,2011,A1,.Locationinpatent:Page/Pagecolumn29

[1]Patent:WO2011/121099,2011,A2,.Locationinpatent:Page/Pagecolumn40-41

[2]Patent:EP2371817,2011,A1,.Locationinpatent:Page/Pagecolumn28

[1]Patent:WO2012/76919,2012,A1,

Downstream Synthesis Route
115-46-8    43076-61-5   
1-<4-(1,1-Dimethylethyl)phenyl>-4-<4-(hydroxydiphenylmethyl)-1-piperidinyl>-1-butanoneHydrochloride 

[1]Arzneimittel-Forschung/DrugResearch,1982,vol.32,p.1157-1159

[1]JournalofOrganicChemistry,1990,vol.55,p.1399-1401

[2]Patent:US4908372,1990,A

[1]EuropeanJournalofMedicinalChemistry,1993,vol.28,p.165-173

[2]JournalofMedicinalChemistry,2014,vol.57,p.8540-8562

[3]Patent:US2015/238473,2015,A1.Locationinpatent:Paragraph0217

[4]JournalofPharmacyandPharmacology,1993,vol.45,p.63-66

43076-61-5   
1-(4-tert-Butyl-phenyl)-4-iodo-butan-1-one 

[1]EuropeanJournalofMedicinalChemistry,1993,vol.28,p.165-173

[2]AngewandteChemie-InternationalEdition,2015,vol.54,p.1608-1611    Angew.Chem.,2014,vol.127,p.1628-1631,4

[1]JournalofMedicinalChemistry,2014,vol.57,p.8540-8562

[2]Patent:US2015/238473,2015,A1.Locationinpatent:Paragraph0230;0231

[3]EuropeanJournalofMedicinalChemistry,1993,vol.28,p.165-173

Literature
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SDS
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