5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
• CAS No.: 276684-04-9
• Molecular Formula: C₁₀H₆Cl₂N₂O₂
• Molecular Weight: 257.076
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID40404689
• Nikkaji Number: J1.213.109G
• Wikidata: Q82208989
• Mol file: 276684-04-9.mol

Synonyms:5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid;276684-04-9;3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid;5-(3,4-Dichloro-phenyl)-1H-pyrazole-3-carboxylic acid;3-(3,4-dichlorophenyl)-pyrazole-5-carboxylic acid;SCHEMBL2558820;DTXSID40404689;MFCD03030206;MFCD04969780;AKOS000144648;AKOS000275841;DS-8957;AM20060452;BB 0241012;CS-0122804;FT-0684397;EN300-83707;J-016847;3-(3, 4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid;5-(3,4-dichloro-phenyl)-1 h-pyrazole-3-carboxylic acid;5-(3,4-Dichloro-phenyl)-2H-pyrazole-3-carbo xylic acid

Chemical Property of 5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.48E-12mmHg at 25°C
• Boiling Point: 541.4°C at 760 mmHg
• Flash Point: 281.2°C
• PSA: 65.98000
• LogP: 3.08170
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 255.9806328
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

97% ^*data from raw suppliers

5-(3,4-Dichlorophenyl)-1h-pyrazole-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=NNC(=C2)C(=O)O)Cl)Cl

Technology Process of 5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

There total 3 articles about 5-(3,4-dichlorophenyl)-1H-pyrazole-3-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:

5-(3,4-dichlorophenyl)-1H-pyrazole-3-methyl carboxylate → C10H6Cl2N2O2 (276684-04-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In methanol; at 80 ℃; for 1h;

DOI:10.1016/j.bmcl.2012.10.099

Reference yield:

3',4'-dichloroacetophenone (2642-63-9) → C10H6Cl2N2O2 (276684-04-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium methylate / tetrahydrofuran / 8 h / 20 °C

2: acetic acid; hydrazine hydrate / 1 h / Reflux

3: hydroxylamine hydrochloride; sodium hydroxide / methanol / 1 h / 80 °C

With hydroxylamine hydrochloride; sodium methylate; hydrazine hydrate; acetic acid; sodium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2012.10.099

Reference yield:

methyl 4-(3,4-dichlorophenyl)-2,4-dioxobutanoate (374679-63-7) → C10H6Cl2N2O2 (276684-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; hydrazine hydrate / 1 h / Reflux

2: hydroxylamine hydrochloride; sodium hydroxide / methanol / 1 h / 80 °C

With hydroxylamine hydrochloride; hydrazine hydrate; acetic acid; sodium hydroxide; In methanol;

DOI:10.1016/j.bmcl.2012.10.099

upstream raw materials:

3',4'-dichloroacetophenone

methyl 4-(3,4-dichlorophenyl)-2,4-dioxobutanoate

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