1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
• CAS No.: 372107-08-9
• Molecular Formula: C14H10N2O2S
• Molecular Weight: 270.312
• European Community (EC) Number: 838-644-7
• Mol file: 372107-08-9.mol

Synonyms:1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid;372107-08-9;1-Phenyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylic acid;1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid;SCHEMBL6670526;AKOS000121759;CS-0218379;EN300-00722;A927985;SR-01000271596;SR-01000271596-1;Z56839664;1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylicacid;1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid, AldrichCPR

Chemical Property of 1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid

Chemical Property:

• PSA: 83.36000
• LogP: 3.29900
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 270.04629874
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

97% ^*data from raw suppliers

1-PHENYL-3-(THIOPHEN-2-YL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)O

Technology Process of 1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid

There total 4 articles about 1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-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: 71.0%

1-phenyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde (210825-11-9) → 1-phenyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylic acid (372107-08-9)

Guidance literature:

With pyridine; potassium permanganate; In water; at 20 - 22 ℃;

DOI:10.1023/A:1012490120976

Reference yield:

2-Acetylthiophene (88-15-3,97511-16-5) → 1-phenyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylic acid (372107-08-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid / ethanol / Reflux

2.1: trichlorophosphate / 1 h / Cooling with ice

2.2: 0.5 h / 20 °C

2.3: 4 h / 80 °C

3.1: potassium hydroxide; potassium permanganate / 1,4-dioxane; water / 3 h / 20 °C

With potassium permanganate; acetic acid; potassium hydroxide; trichlorophosphate; In 1,4-dioxane; ethanol; water;

DOI:10.1016/j.ejmech.2020.112161

Reference yield:

phenylhydrazine (100-63-0) → 1-phenyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylic acid (372107-08-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid / ethanol / Reflux

2.1: trichlorophosphate / 1 h / Cooling with ice

2.2: 0.5 h / 20 °C

2.3: 4 h / 80 °C

3.1: potassium hydroxide; potassium permanganate / 1,4-dioxane; water / 3 h / 20 °C

With potassium permanganate; acetic acid; potassium hydroxide; trichlorophosphate; In 1,4-dioxane; ethanol; water;

DOI:10.1016/j.ejmech.2020.112161

upstream raw materials:

1-phenyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde

2-Acetylthiophene

phenylhydrazine

1-[1-(thiophen-2-yl)ethylidene]-2-phenylhydrazine

Downstream raw materials:

1-phenyl-3-thiophen-2-yl-1H-pyrazole-4-carbonyl chloride