4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID

Base Information

• Chemical Name: 4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID
• CAS No.: 15898-26-7
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.252
• Hs Code.: 2933990090
• Mol file: 15898-26-7.mol

Synonyms:Benzoicacid, p-(2,5-dimethyl-1-pyrryl)- (4CI);Benzoic acid,p-(2,5-dimethylpyrrol-1-yl)- (6CI,8CI);1-(4-Carboxyphenyl)-2,5-dimethylpyrrole;4-(2,5-Dimethylpyrrol-1-yl)benzoic acid;4-(2,5-Dimethylpyrrolyl)benzoic acid;

Chemical Property of 4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID

Chemical Property:

• Vapor Pressure: 1.41E-06mmHg at 25°C
• Melting Point: 181-184°C
• Refractive Index: 1.579
• Boiling Point: 383.8 °C at 760 mmHg
• PKA: 3.82±0.10(Predicted)
• Flash Point: 185.9 °C
• PSA: 42.23000
• Density: 1.14 g/cm³
• LogP: 2.79230

Purity/Quality:

97% ^*data from raw suppliers

4-(2,5-Dimethyl-pyrrol-1-yl)-benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Harmful:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID

There total 5 articles about 4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC 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: 99.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 2,5-hexanedione (110-13-4) → 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (15898-26-7)

Guidance literature:

In isopropyl alcohol; for 15h; Heating / reflux;

Reference yield:

1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole (5044-24-6) → 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (15898-26-7)

Guidance literature:

With diethyl ether; iodine; magnesium; Behandeln des Reaktionsprodukts mit Kohlendioxid;

DOI:10.1021/ja01233a505

Reference yield:

2,5-hexanedione (110-13-4) → 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (15898-26-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrochloric acid

2: lithium; diethyl ether / Behandeln des Reaktionsprodukts mit Kohlendioxid

With hydrogenchloride; diethyl ether; lithium;

DOI:10.1021/ja01233a505

upstream raw materials:

1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole

4-amino-benzoic acid

2,5-hexanedione

4-bromo-aniline

Downstream raw materials:

4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid hydrazide

ethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate

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