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229648-45-7,MFCD09418569
Catalog No.:AA002LN4

229648-45-7 | Methyl 4-(isopropylcarbamoyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$112.00   $78.00
- +
5g
96%
in stock  
$311.00   $218.00
- +
10g
96%
in stock  
$477.00   $334.00
- +
25g
96%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002LN4
Chemical Name:
Methyl 4-(isopropylcarbamoyl)benzoate
CAS Number:
229648-45-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD09418569
SMILES:
COC(=O)c1ccc(cc1)C(=O)NC(C)C
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
255  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Lang,Qi-Wei;Hu,Xiu-Ning;Huang,Pei-Qiang[ScienceChinaChemistry,2016,vol.59,#12,p.1638-1644]

[2]Lee,Sun-Hwa;Nikonov,GeorgiiI.[DaltonTransactions,2014,vol.43,#23,p.8888-8893]

Literature

Title: Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides.

Journal: Nature chemistry 20120221

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SDS
Tags:229648-45-7 Molecular Formula|229648-45-7 MDL|229648-45-7 SMILES|229648-45-7 Methyl 4-(isopropylcarbamoyl)benzoate