3-(5-methyl-1H-pyrrol-3-yl)propanoic acid

Base Information

• Chemical Name: 3-(5-methyl-1H-pyrrol-3-yl)propanoic acid
• CAS No.: 60390-32-1
• Molecular Formula: C8H11NO2
• Molecular Weight: 153.17800
• DSSTox Substance ID: DTXSID10536284
• Wikidata: Q82410899

Synonyms:3-(5-methyl-1H-pyrrol-3-yl)propanoic acid;60390-32-1;SCHEMBL3415097;DTXSID10536284;OFPNUOGGOQJSDD-UHFFFAOYSA-N;AKOS006311644;3-(5-methyl-1H-3-pyrrolyl)propanoic acid;3-(5-Methyl-1H-pyrrol-3-yl)propionic acid;3-(5-Methyl-1H-pyrrole-3-yl)propionic acid

Chemical Property of 3-(5-methyl-1H-pyrrol-3-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 319.673oC at 760 mmHg
• Flash Point: 147.133oC
• PSA: 53.09000
• Density: 1.197g/cm3
• LogP: 1.34030
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

3-(5-METHYL-1H-PYRROL-3-YL)PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN1)CCC(=O)O

Technology Process of 3-(5-methyl-1H-pyrrol-3-yl)propanoic acid

There total 7 articles about 3-(5-methyl-1H-pyrrol-3-yl)propanoic 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: 85.0%

2-carboxy-5-methylpyrrole-3-propionic acid (93553-63-0) → 2-methyl-4-(2'-carboxyethyl)pyrrole (60390-32-1)

Guidance literature:

With water; at 100 ℃;

Reference yield:

2-Methyl-pyrrol-carbonsaeureethylester-5-(β-propionsaeure-ethylester)-4 (40515-75-1) → 2-methyl-4-(2'-carboxyethyl)pyrrole (60390-32-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / 8percent aq. NaOH / aq. ethanol / 1 h / Heating

2: 85 percent / H₂O / 100 °C

With sodium hydroxide; water; In ethanol;

Reference yield:

ethyl 2-ethoxycarbonyl-4-benzyloxycarbonyl-5-methylpyrrole-3-propionate (50622-87-2) → 2-methyl-4-(2'-carboxyethyl)pyrrole (60390-32-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 54 percent / H₂, Et₃N / 10percent Pd/C / aq. ethanol / 5 h / 1471.02 Torr

2: 96 percent / Cu(OAc)2, quinoline / 3 h / 190 - 210 °C

3: 98 percent / 8percent aq. NaOH / aq. ethanol / 1 h / Heating

4: 85 percent / H₂O / 100 °C

With quinoline; sodium hydroxide; copper diacetate; water; hydrogen; triethylamine; palladium on activated charcoal; In ethanol;

upstream raw materials:

2-carboxy-5-methylpyrrole-3-propionic acid

2-ethoxycarbonyl-5-methylpyrrole-3-propionic acid

2-Methyl-pyrrol-carbonsaeureethylester-5-(β-propionsaeure-ethylester)-4

3-(2-ethoxycarbonyl-4-carboxy-5-methyl-pyrrol-3-yl)-propionic acid

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