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54064-39-0,MFCD11111006
Catalog No.:AA00E3X2

54064-39-0 | Ethyl 3-methyl-2-nitrobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$86.00   $60.00
- +
5g
98%
in stock  
$229.00   $160.00
- +
25g
98%
in stock  
$800.00   $560.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00E3X2
Chemical Name:
Ethyl 3-methyl-2-nitrobenzoate
CAS Number:
54064-39-0
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD11111006
SMILES:
CCOC(=O)c1cccc(c1[N+](=O)[O-])C
Properties
Computed Properties
 
Complexity:
248  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
2.3  

Downstream Synthesis Route
54064-39-0    95-92-1   
3-(2-ethoxycarbonyl-2-oxo-ethyl)-2-nitro-benzoicacidethylester 

[1]Suzuki;Gyoutoku;Yokoo;Shinba;Sato;Yamada;Murakami[Synlett,2000,#8,p.1196-1198]

54064-39-0   
3-bromomethyl-2-nitro-benzoicacidethylester 

[1]Koshio,Hiroyuki;Hirayama,Fukushi;Ishihara,Tsukasa;Shiraki,Ryouta;Shigenaga,Takeshi;Taniuchi,Yuta;Sato,Kazuo;Moritani,Yumiko;Iwatsuki,Yoshiyuki;Kaku,Seiji;Katayama,Naoko;Kawasaki,Tomihisa;Matsumoto,Yuzo;Sakamoto,Shuichi;Tsukamoto,Shin-Ichi[BioorganicandMedicinalChemistry,2005,vol.13,#4,p.1305-1323]

54064-39-0   
2-amino-3-(3-cyano-phenoxymethyl)-benzoicacidethylester 

[1]Koshio,Hiroyuki;Hirayama,Fukushi;Ishihara,Tsukasa;Shiraki,Ryouta;Shigenaga,Takeshi;Taniuchi,Yuta;Sato,Kazuo;Moritani,Yumiko;Iwatsuki,Yoshiyuki;Kaku,Seiji;Katayama,Naoko;Kawasaki,Tomihisa;Matsumoto,Yuzo;Sakamoto,Shuichi;Tsukamoto,Shin-Ichi[BioorganicandMedicinalChemistry,2005,vol.13,#4,p.1305-1323]

Literature
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SDS
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