Product Information
Name:Methyl 3-Nitrophthalate
Controlled Product
Synonyms:
- 2-Methoxycarbonyl-6-nitrobenzoic Acid
- Methyl 2-Carboxy-3-nitrobenzoate
Brand:TRC
Description:Applications Methyl 3-Nitrophthalate is an intermediate in the synthesis of (αS)-3-Ethoxy-4-methoxy-α-[(methylsulfonyl)methyl]-N-[(1S)-1-phenylethyl]-benzenemethanamine which is an impurity of Apremilast (A729700), which is an oral phosphodiesterase 4 inhibitor used for treating psoriatic arthritis.References Gan, E. et al.: BioDrugs, 27, 359 (2013); Pathan, E. et al.: Annal. Rheum. DIs., 72, 1475 (2013)
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Chemical properties
Molecular weight:306.32
Formula:C13H18N6O3
Color/Form:Neat
InChI:InChI=1S/C13H18N6O3/c1-18(2)6-16-13-14-4-8-12(17-13)19(7-15-8)11-3-9(21)10(5-20)22-11/h4,6-7,9-11,20-21H,3,5H2,1-2H3/b16-6+/t9-,10+,11+/m0/s1
InChI key:InChIKey=BDHOALZAPOYTGB-PRCRKUHXSA-N
SMILES:CN(C)/C=N/c1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
Technical inquiry about: Methyl 3-Nitrophthalate
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