126092-96-4

Basic information

• Product Name: 1H-Pyrrole-2-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-Methyl-, Methyl ester
• Synonyms: 1H-Pyrrole-2-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-Methyl-, Methyl ester;4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-Pyrrole-2-carboxylic acid methyl ester
• CAS NO: 126092-96-4
• Molecular Formula: C₁₂H₁₈N₂O₄
• Molecular Weight: 254.28232
• Mol File: 126092-96-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 115-116 °C
• Boiling Point: 326.3±27.0 °C(Predicted)
• Appearance: /
• Density: 1.14±0.1 g/cm3(Predicted)
• PKA: 13.90±0.70(Predicted)
• CAS DataBase Reference: 1H-Pyrrole-2-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-Methyl-, Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrole-2-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-Methyl-, Methyl ester(126092-96-4)
• EPA Substance Registry System: 1H-Pyrrole-2-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-Methyl-, Methyl ester(126092-96-4)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 126092-96-4(Hazardous Substances Data)

Usage

General Description

1H-Pyrrole-2-carboxylic acid, 4-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-Methyl-, Methyl ester is a chemical compound that belongs to the pyrrole class of organic compounds. It is a derivative of pyrrolecarboxylic acid and is commonly used in research and pharmaceutical applications. The molecule is characterized by a pyrrole ring with a carboxylic acid group and a methyl ester group. The compound also contains an amino group protected by a diMethylethoxy carbonyl group. This chemical has potential applications in the development of new drugs and bioactive compounds due to the unique properties of the pyrrole ring and the amino group.

Upstream product

• 4248-19-5 tert-butyl carbazate 
• 40740-42-9 4-iodo-1-methyl-pyrrole-2-carboxylic acid methyl ester 
• 24424-99-5 di-tert-butyl dicarbonate 
• 126093-10-5 methyl N-methyl-4-aminopyrrole-2-carboxylate trifluoroacetate 
• 500903-64-0 (5-chlorocarbonyl-1-methyl-1H-pyrrol-3-yl)-carbamic acid tert-butyl ester 
• 13138-76-6 1-methyl-4-nitropyrrole-2-carboxylic acid methyl ester 
• 37619-24-2 methyl N-methylpyrrole-2-carboxylate 
• 6973-60-0 1-Methyl-2-pyrrolecarboxylic acid 
• 184643-69-4 1-(4-bromo-1-methyl-1H-pyrrol-2-yl)-2,2,2-trichloroethan-1-one 
• 96-54-8 N-Methylpyrrole 
• 1196-90-3 4-bromo-1-methyl-1H-pyrrole-2-carboxylic acid methyl ester 
• 180258-45-1 methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride 
• 72083-62-6 methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate 
• 21898-65-7 1-methyl-2-trichloroacetyl-1H-pyrrole 

Downstream Products

• 126093-05-8 (5-{5-[5-({[4-(Acridin-9-ylamino)-phenylcarbamoyl]-methyl}-carbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-1-methyl-1H-pyrrol-3-ylcarbamoyl}-1-methyl-1H-pyrrol-3-yl)-carbamic acid tert-butyl ester 
• 126093-04-7 4-(9-acridinylamino)-N-<4-<<<4-<<(tert-butyloxy)carbonyl>amino>-1-methyl-pyrrol-2-yl>carbonyl>amino>-1-methyl-pyrrol-2-carbonyl>glycylaniline 
• 126093-03-6 4-(9-acridinylamino)-N-<4-<<(tert-butyloxy)carbonyl>amino>-1-methyl-pyrrol-2-carbonyl>glycylaniline 
• 126093-02-5 benzyl 4-(formylamino)-1-methyl-pyrrole-2-carboxylate 
• 77716-20-2 Benzyl 4-<<<4-<<<4-(Formylamino)-1-methylpyrrol-2-yl>carbonyl>amino>-1-methylpyrrol-2-yl>carbonyl>amino>-1-methylpyrrole-2-carboxylate 
• 77716-15-5 benzyl 4-<<<4-<<(tert-butyloxy)carbonyl>amino>-1-methyl-pyrrol-2-yl>carbonyl>amino>-1-methyl-pyrrole-2-carboxylate 
• 77716-13-3 benzyl 4-<<(tert-butyloxy)carbonyl>amino>-1-methyl-pyrrole-2-carboxylate 
• 77716-19-9 Benzyl 4-<<(4-Amino-1-methylpyrrol-2-yl)carbonyl>amino>-1-methylpyrrole-2-carboxylate 
• 77716-14-4 Benzyl 4-Amino-1-methylpyrrole-2-carboxylate 
• 251999-70-9 (E)-p-nitrophenyl 1-methyl-4-[(tert-butoxycarbonyl)amino]-2-pyrrolylacrylate 
• 126092-97-5 methyl 4-<<<4-<<(tert-butyloxy)carbonyl>amino>-1-methyl-pyrrol-2-yl>carbonyl>amino>-1-methyl-pyrrole-2-carboxylate 
• 126092-98-6 4-<<<4-<<(tert-butyloxy)carbonyl>amino>-1-methyl-pyrrol-2-yl>carbonyl>amino>-1-methyl-pyrrole-2-carboxylic acid 
• 72083-62-6 methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate 
• 77716-11-1 4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid 

Relevant articles and documents

Guanine-Containing DNA Minor-Groove binders

Solid-phase procedures have been used to prepare six di-pyrrole-containing DNA ligands that combine (guanin-9-yl)-acetyl, (guanin-7-yl)acetyl or acetyl moieties at the N-terminal end and two lysines or a (dimethylamino)propyl group at the C terminus. Inspection of their DNA-stabilizing properties by UV-monitored thermal denaturation experiments showed that the ligand incorporating the (guanin-9-yl)acetyl group and the (dimethylamino)propyl tail had the highest duplex-stabilizing effects. Wiley-VCH Verlag GmbH & Co, KGaA.

METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND

To provide a method for producing a nitrogen-containing aromatic amide that is capable of using a monomer unit obtained under milder reaction condition and uses catalytic amide bond formation, and a method for producing a pyrrole-imidazole polyamide. [1] A method for producing a nitrogen-containing aromatic amide, including reacting a compound 1 represented by the general formula (1) and a compound 2 represented by the general formula (2) in the presence of a transition metal catalyst and a base, so as to provide a compound 3 represented by the general formula (3). [2] A method for producing a pyrrole-imidazole polyamide, including using the compound 3 obtained by the production method according to the item [1]. [3] A compound represented by the general formula (2aa), the general formula (2ab), the general formula (2ac), or the general formula (2ad).

Synthesis of N-methylpyrrole and N-methylimidazole amino acids suitable for solid-phase synthesis

New and higher yielding synthetic routes to N-protected N-methylpyrrole and N-methylimidazole amino acids are introduced to circumvent difficulties associated with established schemes. Key steps in each synthesis include copper-mediated cross-coupling reaction to directly install a carbamate-protected 4-amine in the N-methylpyrrole derivative and effective nitration followed by a one-pot reduction/Boc protection of the amine in the synthesis of the N-Me-imidazole amino acid.