21606-04-2

Basic information

• Product Name: 1-Methyl-3-nitrophthalate
• Synonyms: 1-Methyl-3-nitrophthalate;3-Nitro-1,2-Benzenedi-Carboxylic Acid Monomethyl Ester;3-Nitro-1,2-benzenedicarboxylic acid 1-methyl ester;METHYL2-CARBOXY-3-NITROBENZOATE;Methyl 3-nitro-2-carboxyl benzoate;3-Nitro-phthalic acid 1-Methyl ester;2-(Methoxycarbonyl)-6-nitrobenzoic acid;2-Methoxyxcarbonyl-6-nitrobenzoic acid
• CAS NO: 21606-04-2
• Molecular Formula: C₉H₇NO₆
• Molecular Weight: 225.16
• Mol File: 21606-04-2.mol

Chemical Properties

• Melting Point: 160.0 to 164.0 °C
• Boiling Point: 409.199 °C at 760 mmHg
• Flash Point: 201.277 °C
• Appearance: /
• Density: 1.484 g/cm³
• Vapor Pressure: 1.98E-07mmHg at 25°C
• Refractive Index: 1.594
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.87±0.30(Predicted)
• CAS DataBase Reference: 1-Methyl-3-nitrophthalate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methyl-3-nitrophthalate(21606-04-2)
• EPA Substance Registry System: 1-Methyl-3-nitrophthalate(21606-04-2)

Safety Data

• Hazardous Substances Data: 21606-04-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-Methyl-3-nitrophthalate is used as a chemical intermediate for the synthesis of (αS)-3-Ethoxy-4-methoxy-α-[(methylsulfonyl)methyl]-N-[(1S)-1-phenylethyl]-benzenemethanamine, which is an impurity of Apremilast (A729700). Apremilast is an oral phosphodiesterase 4 inhibitor utilized in the treatment of psoriatic arthritis.

InChI:InChI=1/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12)

Upstream product

• 67-56-1 methanol 
• 603-11-2 3-nitrophthalic acid 
• 641-70-3 3-nitrophthalic acid anhydride 
• 124-41-4 sodium methylate 
• 149-73-5 trimethyl orthoformate 
• 7719-09-7 thionyl chloride 
• 6744-85-0 2-(methoxycarbonyl)-3-nitrobenzoic acid 
• 13365-26-9 dimethyl 3-nitrophthalate 

Downstream Products

• 63196-19-0 3-nitro-phthalic acid-1-methyl ester-2-phenyl ester 
• 151094-78-9 6-nitro-2-carbomethoxyphenyl isocyanate 
• 6744-85-0 2-(methoxycarbonyl)-3-nitrobenzoic acid 
• 65911-46-8 2-carbamoyl-6-nitrobenzoic acid 
• 856414-36-3 2-Azidocarbonyl-3-nitro-benzoic acid methyl ester 
• 658073-06-4 8-nitro-3-(2,6-diethylphenyl)-2,4(1H,3H)-quinazolinedione 
• 57113-90-3 methyl 2-(N-tert-butoxycarbonylamino)-3-nitrobenzoate 
• 136304-78-4 methyl 3-amino-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]benzoate 
• 136285-69-3 ethyl 3-amino-2-<<(2'-cyanobiphenyl-4-yl)methyl>amino>benzoate 
• 139481-37-1 methyl 3-amino-2-<<<2'-(methoxycarbonyl)biphenyl-4-yl>methyl>amino>benzoate 
• 139481-28-0 methyl 2-<<2'-cyanobiphenyl-4-yl)methyl>amino>-3-nitrobenzoate 
• 139481-33-7 methyl 1-<(2'-cyanobiphenyl-4-yl)methyl>-2,3-dihydro-2-oxo-1H-benzimidazole-7-carboxylate 
• 139481-34-8 methyl 2-chloro-1-<(2'-cyanobiphenyl-4-yl)methyl>-1H-benzimidazole-7-carboxylate 
• 136304-69-3 ethyl 1-<(2'-cyanobiphenyl-4-yl)methyl>-2-methyl-1H-benzimidazole-7-carboxylate 

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