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122357-96-4,MFCD09418544
Catalog No.:AA00172H

122357-96-4 | Methyl 4-(diethylcarbamoyl)benzoate

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250mg
98%(GC)
in stock  
$80.00   $56.00
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1g
98%(GC)
in stock  
$191.00   $134.00
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5g
98%(GC)
in stock  
$762.00   $534.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00172H
Chemical Name:
Methyl 4-(diethylcarbamoyl)benzoate
CAS Number:
122357-96-4
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD09418544
SMILES:
CCN(C(=O)c1ccc(cc1)C(=O)OC)CC
Properties
Computed Properties
 
Complexity:
266  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
5  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Eaton,PhilipE.;Lee,Chih-Hung;Xiong,Yusheng[JournaloftheAmericanChemicalSociety,1989,vol.111,#20,p.8016-8018]

[1]Kuwano,Ryoichi;Takahashi,Masatoshi;Ito,Yoshihiko[TetrahedronLetters,1998,vol.39,#9,p.1017-1020]

[1]CurrentPatentAssignee:FUJIFILMHOLDINGSCORP.-US6384065,2002,B1

[1]Wang,Pengxu;Batt,SarahM.;Wang,Bin;Fu,Lei;Qin,Rongfei;Lu,Yu;Li,Gang;Besra,GurdyalS.;Huang,Haihong[JournalofMedicinalChemistry,2021,vol.64,#9,p.6241-6261]

[2]CurrentPatentAssignee:FUJIFILMHOLDINGSCORP.-US6384065,2002,B1

[1]Wang,Pengxu;Batt,SarahM.;Wang,Bin;Fu,Lei;Qin,Rongfei;Lu,Yu;Li,Gang;Besra,GurdyalS.;Huang,Haihong[JournalofMedicinalChemistry,2021,vol.64,#9,p.6241-6261]

[2]CurrentPatentAssignee:CHINESEACADEMYOFMEDICALSCIENCES-CN110759889,2020,ALocationinpatent:Paragraph0159;0313;0317-0319

[3]Leighty,MatthewW.;Spletstoser,JaredT.;Georg,GundaI.[OrganicSyntheses,2011,vol.88,p.427-437]

[4]Zhao,Yigang;Snieckus,Victor[OrganicLetters,2014,vol.16,#2,p.390-393]

[5]Cyr,Patrick;Régnier,Sophie;Bechara,WilliamS.;Charette,AndréB.[OrganicLetters,2015,vol.17,#14,p.3386-3389]

Literature
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SDS
Tags:122357-96-4 Molecular Formula|122357-96-4 MDL|122357-96-4 SMILES|122357-96-4 Methyl 4-(diethylcarbamoyl)benzoate