1-Pyrrolebutyric acid, 2,5-dimethyl-

Base Information

• Chemical Name: 1-Pyrrolebutyric acid, 2,5-dimethyl-
• CAS No.: 110525-48-9
• Molecular Formula: C₁₀H₁₅NO₂
• Molecular Weight: 181.235
• DSSTox Substance ID: DTXSID30149274
• Wikidata: Q83015010
• Mol file: 110525-48-9.mol

Synonyms:110525-48-9;1-Pyrrolebutyric acid, 2,5-dimethyl-;4-(2,5-Dimethyl-1H-pyrrol-1-yl)butanoic acid;4-(2,5-dimethylpyrrol-1-yl)butanoic acid;2,5-Dimetil-1H-pirrol-il-butanoico [Italian];2,5-Dimethyl-1H-pyrrol-1-yl-butanoic acid;1H-Pyrrole-1-butanoic acid, 2,5-dimethyl-;2,5-Dimetil-1H-pirrol-il-butanoico;DTXSID30149274;MFCD01688656;AKOS000137539;LS-136638;CS-0339379

Chemical Property of 1-Pyrrolebutyric acid, 2,5-dimethyl-

Chemical Property:

• Vapor Pressure: 1.73E-05mmHg at 25°C
• Boiling Point: 349.7°C at 760 mmHg
• Flash Point: 165.3°C
• Density: 1.07g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1CCCC(=O)O)C

Technology Process of 1-Pyrrolebutyric acid, 2,5-dimethyl-

There total 1 articles about 1-Pyrrolebutyric acid, 2,5-dimethyl- 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: 45.0%

2,5-hexanedione (110-13-4) + 4-amino-n-butyric acid (56-12-2) → 2,5-dimethyl-1H-pyrrol-1-yl-butanoic acid (110525-48-9)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 43h;

Reference yield:

4-phenyl-1-piperazine (92-54-6) + 2,5-dimethyl-1H-pyrrol-1-yl-butanoic acid (110525-48-9) → 4-(2,5-Dimethyl-pyrrol-1-yl)-1-(4-phenyl-piperazin-1-yl)-butan-1-one (110525-51-4)

Guidance literature:

With 1,1'-carbonyldiimidazole; In dichloromethane; for 3h; Ambient temperature;

Reference yield:

isopropylamine (75-31-0) + 2,5-dimethyl-1H-pyrrol-1-yl-butanoic acid (110525-48-9) → 4-(2,5-Dimethyl-pyrrol-1-yl)-N-isopropyl-butyramide

Guidance literature:

With 1,1'-carbonyldiimidazole; In dichloromethane; for 3h; Ambient temperature;

upstream raw materials:

2,5-hexanedione

4-amino-n-butyric acid

Downstream raw materials:

4-(2,5-Dimethyl-pyrrol-1-yl)-1-(4-phenyl-piperazin-1-yl)-butan-1-one

Refernces