4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid
• CAS No.: 45776-13-4
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30391519
• Nikkaji Number: J1.924.696E
• Wikidata: Q27464628
• Mol file: 45776-13-4.mol

Synonyms:45776-13-4;4-AMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID;4-amino-1-methylpyrrole-2-carboxylic acid;4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID;C6H8N2O2;SCHEMBL781811;1H-Pyrrole-2-carboxylicacid,4-amino-1-methyl-(9CI);DTXSID30391519;AKOS010562995;AB42940;CS-0289374;EN300-144716;1-Methyl-4-amino-1H-pyrrole-2-carboxylic acid;1h-pyrrole-2-carboxylic acid, 4-amino-1-methyl;4-AMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLICACID;Q27464628

Chemical Property of 4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid

Chemical Property:

• Boiling Point: 381.7±27.0 °C(Predicted)
• PKA: 3.73±0.41(Predicted)
• PSA: 68.25000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 0.88670
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

4-AMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C=C1C(=O)O)N

Technology Process of 4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid

There total 1 articles about 4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid (77716-11-1) → 4-amino-1-methylpyrrole-2-carboxylic acid (45776-13-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 0 - 25 ℃;

Reference yield: 62.0%

4-amino-1-methylpyrrole-2-carboxylic acid (45776-13-4) + (fluorenylmethoxy)carbonyl chloride (28920-43-6) → 4-[(9-fluorenylmethoxycarbonyl)amino]-1-methyl-2-pyrrole carboxylic acid (195387-29-2)

Guidance literature:

In diethyl ether; water;

DOI:10.1016/S0040-4039(99)00490-6

Reference yield:

4-amino-1-methylpyrrole-2-carboxylic acid (45776-13-4) + tert-butyl fluoroformate (18595-34-1) → 4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid (77716-11-1)

Guidance literature:

In tetrahydrofuran; diethyl ether; Yield given; 1.) 1 h, ice cooled, 2.) 2 h, ambient temperature;

DOI:10.1021/jo00330a022

upstream raw materials:

4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid

Downstream raw materials:

1-methyl-4-(phenylsulfonamido)-1H-pyrrole-2-carboxylic acid

4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid

4-[(9-fluorenylmethoxycarbonyl)amino]-1-methyl-2-pyrrole carboxylic acid

N-Fmoc-4-amino-1-methyl-1H-pyrrole-2-carboxylic acid 2,3,4,5,6-pentafluorophenyl ester

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