1-Methyl-3-nitrophthalate

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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 °C at 760 mmHg

Purity

98.0%

Density

1.484 g/cm³

Form

Powder

MDL

MFCD00034781

Packaging

100 mg

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