1H-Pyrrole-2-carboxylicacid,4-fluoro-,methylester(9CI)

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylicacid,4-fluoro-,methylester(9CI)
• CAS No.: 475561-89-8
• Molecular Formula: C6H6FNO2
• Molecular Weight: 143.12
• Hs Code.: 2933998090
• Mol file: 475561-89-8.mol

Synonyms:1H-Pyrrole-2-carboxylicacid,4-fluoro-,methylester(9CI);Methyl 4-Fluoropyrrole-2-carboxylate;Methyl 4-fluoro-1H-pyrrole-2-carboxylate

Chemical Property of 1H-Pyrrole-2-carboxylicacid,4-fluoro-,methylester(9CI)

Chemical Property:

• Melting Point: 94.2-95.4 °C
• Boiling Point: 244.3±25.0 °C(Predicted)
• PKA: 13.70±0.50(Predicted)
• Density: 1.302±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

Methyl4-fluoro-1H-pyrrole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1H-Pyrrole-2-carboxylicacid,4-fluoro-,methylester(9CI)

There total 14 articles about 1H-Pyrrole-2-carboxylicacid,4-fluoro-,methylester(9CI) 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: 77.0%

(S)-4,4-difluoro-N-tosyl-pyrrolidine-2-carboxylic acid methyl ester (915230-15-8) → 4-fluoro-1H-pyrrole-2-carboxylic acid methyl ester (475561-89-8)

Guidance literature:

With methanol; sodium; for 2h;

Reference yield: 73.0%

methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate (126111-14-6) → 4-fluoro-1H-pyrrole-2-carboxylic acid methyl ester (475561-89-8)

Guidance literature:

With manganese(IV) oxide; In tetrahydrofuran; for 3h; Heating;

DOI:10.1016/S0040-4020(02)00677-4

Reference yield: 56.0%

methyl (R)-4,4-difluoropyrrolidine-2-carboxylate → 4-fluoro-1H-pyrrole-2-carboxylic acid methyl ester (475561-89-8)

Guidance literature:

With manganese(IV) oxide; In tetrahydrofuran; at 70 ℃; for 3h; Reflux;

upstream raw materials:

methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate

1-tert-butyl 2-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate

(S)-4,4-difluoro-N-tosyl-pyrrolidine-2-carboxylic acid methyl ester

(2R,4R)-1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate

Downstream raw materials:

4-fluoro-pyrrole-2-carboxylic acid

1-[2-(4-tert-butyl-phenyl)-2-oxo-ethyl]-4-fluoro-1H-pyrrole-2-carboxylic acid methyl ester

3-(4-tert-butyl-phenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one

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