4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
• CAS No.: 175276-99-0
• Molecular Formula: C7H9 Br N2 O2
• Molecular Weight: 233.06
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50372527
• Nikkaji Number: J1.468.899D
• Wikidata: Q82160286
• Mol file: 175276-99-0.mol

Synonyms:175276-99-0;4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid;4-bromo-2-ethyl-5-methylpyrazole-3-carboxylic acid;4-bromo-1-ethyl-3-methylpyrazole-5-carboxylic acid;4-Bromo-1-ethyl-methyl-1H-pyrazole-5-carboxylic acid;4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylicacid;Maybridge1_008578;SCHEMBL1326752;HMS565N20;DTXSID50372527;BBL028335;MFCD00173776;STL315673;AKOS015908843;AS-5474;CCG-255005;CS-0448654;FT-0617705;1-Ethyl-3-methyl-4-bromo-1H-pyrazole-5-carboxylic acid;1H-Pyrazole-5-carboxylicacid,4-bromo-1-ethyl-3-methyl-;4-bromo-2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid;4-bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid, AldrichCPR

Chemical Property of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.73E-05mmHg at 25°C
• Melting Point: 158 °C
• Boiling Point: 349.7°Cat760mmHg
• Flash Point: 165.3°C
• PSA: 55.12000
• Density: 1.69g/cm³
• LogP: 1.67210
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.98474
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=C(C(=N1)C)Br)C(=O)O

Technology Process of 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

There total 1 articles about 4-Bromo-1-ethyl-3-methyl-1H-pyrazole-5-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:

→ 2-ethyl-4-bromo-5-methyl-2H-pyrazole-3-carboxylic acid (175276-99-0)

Guidance literature:

With water; bromine; anschliessend Behandeln mit Wasser;

Reference yield: 80.0%

2-ethyl-4-bromo-5-methyl-2H-pyrazole-3-carboxylic acid (175276-99-0) + phenylboronic acid (98-80-6) → 2-ethyl-5-methyl-4-phenyl-2H-pyrazole-3-carbonitrile

Guidance literature:

2-ethyl-4-bromo-5-methyl-2H-pyrazole-3-carboxylic acid; With resin-bound amine; benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

phenylboronic acid; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; for 48h; Heating;

With pyridine; trifluoroacetic anhydride; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1016/S0040-4039(00)01988-2