1-Methyl-3-nitrophthalate

For Research Use Only.
Category
Impurities
Cat.No.
NP3030
CAS
21606-04-2
Product Name
1-Methyl-3-nitrophthalate
Structure

Product Details

Description
2-(Methoxycarbonyl)-6-nitrobenzoic Acid (CAS# 21606-04-2) 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.
Synonyms
2-methoxycarbonyl-6-nitrobenzoic acid; 2-methoxycarbonyl-6-nitrobenzoic acid
IUPAC Name
2-methoxycarbonyl-6-nitrobenzoic acid
Molecular Weight
225.15
Molecular Formula
C9H7NO6
Canonical SMILES
COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12)
InChIKey
DJMQLZPEBHSABD-UHFFFAOYSA-N
Boiling Point
409.2 ℃ at 760 mmHg
Purity
98.0%
Density
1.484 g/cm3
Form
Powder
MDL
MFCD00034781
Packaging
100 mg
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