5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid
• CAS No.: 14678-90-1
• Molecular Formula: C10H8 Cl N3 O2
• Molecular Weight: 237.645
• Hs Code.: 2933199090
• European Community (EC) Number: 650-870-6
• DSSTox Substance ID: DTXSID80393422
• Wikidata: Q82192186
• Mol file: 14678-90-1.mol

Synonyms:5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid;14678-90-1;5-amino-1-(4-chlorophenyl)pyrazole-4-carboxylic Acid;5-Amino-1-(4-chloro-phenyl)-1H-pyrazole-4-carboxylic acid;MFCD00973906;SCHEMBL3374632;DTXSID80393422;BBL029104;STK940508;AKOS005255576;VS-09108;FT-0716571;EN300-148677;5-AMINO-1-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLICACID

Chemical Property of 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.66E-09mmHg at 25°C
• Refractive Index: 1.695
• Boiling Point: 454.7°Cat760mmHg
• Flash Point: 228.8°C
• PSA: 81.14000
• Density: 1.55g/cm³
• LogP: 2.38730
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 237.0305042
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

99.0% ^*data from raw suppliers

5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)N)Cl

Technology Process of 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid

There total 6 articles about 5-amino-1-(4-chlorophenyl)-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: 70.0%

ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate (14678-87-6) → 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid (14678-90-1)

Guidance literature:

ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate; With sodium hydroxide; In ethanol; for 22h; Reflux;

With hydrogenchloride; In water; at 20 ℃;

DOI:10.2174/1570178617999200728215322

Reference yield:

2-cyano-3-ethoxypropanoic acid + N-4-chlorophenylhydrazine (1073-69-4) → 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid (14678-90-1)

Guidance literature:

In ethanol; at 80 ℃; for 4h;

DOI:10.1016/j.bioorg.2020.103807

Reference yield:

4-chlorophenylhydrazine hydrochloride (1073-70-7) → 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid (14678-90-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol; water / Reflux

1.2: Reflux

2.1: water / ethanol / Reflux

With water; In ethanol; water;

DOI:10.1016/j.ejmech.2018.07.059

upstream raw materials:

ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

4-chlorophenylhydrazine hydrochloride

N-4-chlorophenylhydrazine

Downstream raw materials:

1-(4-chlorophenyl)-6-methylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one

5-amino-1-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one

(E)-5-(benzylideneamino)-1-(4-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one

(E)-1-(4-chlorophenyl)-5-(4-methoxybenzylideneamino)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one

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