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CAS 57113-90-3

:

Methyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoate

Description:
Methyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoate, with the CAS number 57113-90-3, is an organic compound characterized by its complex structure, which includes a benzoate moiety, a nitro group, and a dimethylethoxycarbonyl group. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents such as dichloromethane and ethyl acetate, but may have limited solubility in water. Its molecular structure suggests it may exhibit specific reactivity due to the presence of the nitro group, which can participate in electrophilic substitution reactions. The dimethylethoxycarbonyl group serves as a protective group in synthetic chemistry, allowing for selective reactions at other functional sites. This compound may be of interest in pharmaceutical research and organic synthesis, particularly in the development of new drugs or agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C13H16N2O6
InChI:InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-10-8(11(16)20-4)6-5-7-9(10)15(18)19/h5-7H,1-4H3,(H,14,17)
InChI key:InChIKey=VEDIIGMQOAWKGH-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)C1=C(C(OC)=O)C=CC=C1N(=O)=O
Synonyms:
  • Benzoic Acid, 2-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-3-Nitro-, Methyl Ester
  • Methyl 2-(Tert-Butoxycarbonylamino)-3-Nitrobenzoate
  • Methyl 2-[[(1,1-Dimethylethoxy) Carbony]Amino]-3-Nitrobenzoate
  • Methyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoate
  • methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
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