67974-08-7

Basic information

• Product Name: TERT-BUTYL 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE
• Synonyms: TERT-BUTYL 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE;tert-butyl 1-methyl-4-nitropyrrole-2- carboxylate
• CAS NO: 67974-08-7
• Molecular Formula: C₁₀H₁₄N₂O₄
• Molecular Weight: 226.23
• Mol File: 67974-08-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 330.2°C at 760 mmHg
• Flash Point: 153.5°C
• Appearance: /
• Density: 1.21g/cm³
• Vapor Pressure: 0.000169mmHg at 25°C
• Refractive Index: 1.529
• Storage Temp.: 2-8°C
• CAS DataBase Reference: TERT-BUTYL 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE(67974-08-7)
• EPA Substance Registry System: TERT-BUTYL 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE(67974-08-7)

Safety Data

• Hazardous Substances Data: 67974-08-7(Hazardous Substances Data)

Usage

General Description

TERT-BUTYL 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE, also known as tert-butyl 1-methyl-4-nitropyrrole-2-carboxylate, is a chemical compound with the molecular formula C11H14N2O4. It is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. This chemical is a yellow to brown solid with a melting point of 94-96°C and is soluble in organic solvents such as ethanol and acetone. TERT-BUTYL 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLATE is known for its potential as a building block in the chemical industry, as well as its use in research and development.

InChI:InChI=1/C10H14N2O4/c1-10(2,3)16-9(13)8-5-7(12(14)15)6-11(8)4/h5-6H,1-4H3

Upstream product

• 13138-78-8 1-methyl-4-nitro-pyrrol-2-carboxylic acid 
• 115-11-7 isobutene 
• 96-54-8 N-Methylpyrrole 
• 13138-76-6 1-methyl-4-nitropyrrole-2-carboxylic acid methyl ester 
• 120122-47-6 1-methyl-4-nitro-2-trichloroacetylpyrrole 
• 865-48-5 sodium t-butanolate 
• 75-65-0 tert-butyl alcohol 
• 21898-65-7 1-methyl-2-trichloroacetyl-1H-pyrrole 

Downstream Products

• 633302-78-0 4-[4-(7-acetylamino-5-benzyloxy-1-chloromethyl-1,2-dihydrobenzo[e]indol-3-yl)-4-oxobutyrylamino]-1-methyl-1H-pyrrole-2-carboxylic acid 
• 633302-83-7 C₆₈H₆₅Cl₂N₁₁O₁₀ 
• 195387-29-2 4-[(9-fluorenylmethoxycarbonyl)amino]-1-methyl-2-pyrrole carboxylic acid 
• 335059-71-7 tert-butyl 4-amino-1-methy-1H-pyrrole-2-carboxylate 

Relevant articles and documents

Series of oligopolyamide containing N-methylpyrrole and N-methylimidazole and synthesis method thereof

The invention discloses a series of oligopolyamide DNA minor groove ligand compounds containing N-methylpyrrole and N-methylimidazole and a synthesis method thereof. The synthesis method provided by the invention adopts a five-membered heterocyclic compound and a derivative thereof as the raw materials, and carries out a series of reactions like acylation, nitration, hydrogenation, condensation, hydrolysis and the like to synthesize the target product. The synthesis method provided by the invention is also applicable to synthesis of polyamide. The synthetic process adopted by the method provided by the invention has the characteristics of simple operation and high yield, and is suitable for industrial scale production. The oligopolyamide DNA minor groove ligand compounds containing N-methylpyrrole and N-methylimidazole provided by the invention have structural formulas shown as formula I and formula II in the specification.

Synthesis and cytotoxicity evaluation of novel C7-c7, C7-N3 and N3-N3 dimers of 1-chloromethyl-5-hydroxy-1,2-dihydro-3H-benzo[e]indole (seco-CBI) with pyrrole and imidazole polyamide conjugates.

The C7-C7, C7-N3 and N3-N3 dimers of 1-chloromethyl-5-hydroxy-1,2-dihydro-3H-benzo[e]indole (seco-CBI) with pyrrole and imidazole polyamides were synthesized and preliminary anti-cancer evaluation carried out by NCI against three types of cancer cells.

Fmoc solid phase synthesis of polyamides containing pyrrole and imidazole amino acids

Matrix presented Polyamides containing N-methylimidazole (Im) and N-methylpyrrole (Py) amino acids are synthetic ligands that have an affinity and specificity for DNA comparable to those of many naturally occurring DNA binding proteins. A machine-assisted Fmoc solid phase synthesis of polyamides has been optimized to afford high stepwise coupling yields (>99%). Two monomer building blocks, Fmoc-Py acid and Fmoc-Im acid, were prepared in multigram scale. Cleavage by aminolysis followed by HPLC purification affords up to 200 mg quantities of polyamide with purities and yields greater than or equal to those reported using Boc chemistry. A broader set of reaction conditions will increase the number and complexity of minor groove binding polyamides which may be prepared and help ensure compatibility with many commercially available peptide synthesizers.