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Home Other Building Blocks 40428-87-3
40428-87-3,MFCD00134684
Catalog No.:AA00CTNE

40428-87-3 | 1-(3-Isopropylphenyl)ethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
98%
in stock  
$125.00   $88.00
- +
100mg
98%
in stock  
$281.00   $197.00
- +
250mg
98%
in stock  
$409.00   $287.00
- +
1g
97%
in stock  
$432.00   $302.00
- +
  • 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:
AA00CTNE
Chemical Name:
1-(3-Isopropylphenyl)ethanone
CAS Number:
40428-87-3
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00134684
SMILES:
CC(c1cccc(c1)C(=O)C)C
Properties
Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Upstream Synthesis Route

[1]Patent:WO2016/201426,2016,A1,.Locationinpatent:Paragraph0243

[2]Patent:WO2013/78233,2013,A1,.Locationinpatent:Page/Pagecolumn62

[3]Patent:WO2013/78240,2013,A1,.Locationinpatent:Page/Pagecolumn57

[4]Patent:WO2017/214505,2017,A1,.Locationinpatent:Paragraph000505;000506

[1]OrganicLetters,2002,vol.4,#15,p.2465-2468

[1]TetrahedronAsymmetry,2002,vol.13,#8,p.899-904

[1]Patent:WO2013/49585,2013,A1,.Locationinpatent:Page/Pagecolumn42

[1]TetrahedronAsymmetry,2002,vol.13,#8,p.899-904

Downstream Synthesis Route
77344-62-8   
1-(3,5-diisopropyl-phenyl)-ethanone 
  40428-87-3 

[1]JournaloftheChemicalSociety,1952,p.4162,4165

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.5933,5934

[1]ChemicalandPharmaceuticalBulletin,1991,vol.39,p.202-203

40428-87-3    100-46-9   
Benzyl-1-(3-isopropyl-phenyl)-eth-(E)-ylidene-amine 

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,1991,vol.57,p.57-64

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

Literature
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SDS
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Tags:40428-87-3 Molecular Formula|40428-87-3 MDL|40428-87-3 SMILES|40428-87-3 1-(3-Isopropylphenyl)ethanone