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Home Other Building Blocks 54757-47-0
54757-47-0,MFCD00449197
Catalog No.:AA00D9QD

54757-47-0 | 4-(4-Methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$8.00   $6.00
- +
1g
97%
in stock  
$14.00   $10.00
- +
5g
97%
in stock  
$39.00   $28.00
- +
  • 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:
AA00D9QD
Chemical Name:
4-(4-Methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one
CAS Number:
54757-47-0
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
MDL Number:
MFCD00449197
SMILES:
COc1cc(C)c(c(c1C)C)C=CC(=O)C
Properties
Properties
 
BP:
358.7°C at 760 mmHg  
Form:
Solid  
MP:
64-66°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
270  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
3.1  

Upstream Synthesis Route

[1]PharmaceuticalResearch,1995,vol.12,#7,p.983-992

[1]PharmaceuticalResearch,1995,vol.12,#7,p.983-992

[2]Patent:WO2016/42573,2016,A1,.Locationinpatent:Page/Pagecolumn8

[3]Phosphorus,SulfurandSiliconandtheRelatedElements,2010,vol.185,#3,p.501-508

[1]PharmaceuticalResearch,1995,vol.12,#7,p.983-992

[1]PharmaceuticalResearch,1995,vol.12,#7,p.983-992

Downstream Synthesis Route

[1]PharmaceuticalResearch,1995,vol.12,p.983-992

[1]Patent:WO2016/42573,2016,A1

Literature
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Additional Info:
SDS
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Tags:54757-47-0 Molecular Formula|54757-47-0 MDL|54757-47-0 SMILES|54757-47-0 4-(4-Methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one