1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
• CAS No.: 50920-65-5
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• European Community (EC) Number: 624-744-6
• DSSTox Substance ID: DTXSID90372501
• Wikidata: Q82160246
• Mol file: 50920-65-5.mol

Synonyms:1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid;50920-65-5;2-ethyl-5-methylpyrazole-3-carboxylic acid;1-Ethyl-3-methylpyrazole-5-carboxylic acid;2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid;MFCD00156147;Maybridge1_008579;1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-methyl-;1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLICACID;SCHEMBL710008;HMS565N21;DTXSID90372501;VFMGOJUUTAPPDA-UHFFFAOYSA-N;AMY12288;STR05902;BBL010154;CCG-51224;SPB 01840;STK346771;AKOS000441668;FS-1496;SY027472;BB 0219205;CS-0040900;E1228;FT-0607747;EN300-64227;P15301;SR-01000640535-1;1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid, 97%;F8880-0414;Z992722198

Chemical Property of 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000293mmHg at 25°C
• Melting Point: 130 °C
• Boiling Point: 308.5 °C at 760 mmHg
• PKA: 3.27±0.10(Predicted)
• Flash Point: 140.4 °C
• PSA: 55.12000
• Density: 1.23 g/cm³
• LogP: 0.90960
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98%, ^*data from raw suppliers

1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1C(=CC(=N1)C)C(=O)O
• Uses: 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic Acid is a reagent used in the synthesis of new class of 2-phenylhydrazinylidene derivatives as antivirulence agents that inhibits staphylococcus aureus biofilm formation.

Technology Process of 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid

There total 5 articles about 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:

ethyl bromide (74-96-4) + 5-methyl-2H-pyrazole-3-carboxylic acid methyl ester (25016-17-5) → 1-ethyl-5-methyl-1H-pyrazole-3-carboxylic acid (50920-46-2) + 1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid (50920-65-5)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide; In water; dimethyl sulfoxide; at 20 ℃; Overall yield = 94.8 %; Overall yield = 14.6 g;

Reference yield:

1-ethyl-3-methyl-5-pyrazolecarboxylic acid ethyl ester (50920-64-4) → 1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid (50920-65-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 10h;

DOI:10.1007/s00044-016-1535-9

Reference yield:

ethyl 2,4-diketopentanoate (615-79-2) → 1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid (50920-65-5)

Guidance literature:

Multi-step reaction with 3 steps

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

2: 2 h / 150 - 160 °C

3: sodium hydroxide / ethanol / 10 h

With hydrazine hydrochloride; acetic acid; sodium hydroxide; In ethanol;

DOI:10.1007/s00044-016-1535-9

upstream raw materials:

1-ethyl-3-methyl-5-pyrazolecarboxylic acid ethyl ester

ethyl 2,4-diketopentanoate

ethyl 5-methyl-2H-pyrazole-3-carboxylate

ethyl bromide

Downstream raw materials:

N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-fluorophenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide

3-(1-ethyl-3-methylpyrazol-5-yl)-2-(4-tertbutylphenyl)-3-hydroxy-acrylonitrile

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 50920-65-5 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send