3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid
• CAS No.: 113100-56-4
• Molecular Formula: C6H8N2O3
• Molecular Weight: 156.141
• European Community (EC) Number: 840-516-0
• ChEMBL ID: CHEMBL304586
• DSSTox Substance ID: DTXSID30559016
• Wikidata: Q82441528
• Mol file: 113100-56-4.mol

Synonyms:3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid;113100-56-4;3-methoxy-1-methylpyrazole-4-carboxylic acid;1H-Pyrazole-4-carboxylic acid, 3-methoxy-1-methyl-;CHEMBL304586;SCHEMBL2516540;DTXSID30559016;VABYAAYEPSRUOM-UHFFFAOYSA-N;MFCD11986419;AKOS006342857;AM802944;AS-39652;CS-0035740;EN300-142957;3-Methoxy-1-methyl-1H-pyrazole-4-carboxylicacid;F2135-0490;Z1201626143

Chemical Property of 3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Boiling Point: 326.8±22.0 °C(Predicted)
• PKA: 3.77±0.10(Predicted)
• PSA: 64.35000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 0.12690
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 156.05349212
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

3-Methoxy-1-methyl-1H-pyrazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C(=N1)OC)C(=O)O

Technology Process of 3-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid

There total 4 articles about 3-Methoxy-1-methyl-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: 100.0%

ethyl 3-methoxy-1-methyl-1H-pyrazole-4-carboxylate (103626-04-6) → 3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid (113100-56-4)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

DOI:10.1016/S0960-894X(02)00380-3

Reference yield:

methyl 3-methoxy-1-methyl-1H-pyrazole-4-carboxylate → 3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid (113100-56-4)

Guidance literature:

With potassium hydroxide; In diethyl ether; ethanol; water; ethyl acetate;

Reference yield:

ethyl 3-methoxy-1H-pyrazole-4-carboxylate (478968-48-8) → 3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid (113100-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 0.5 h / 20 °C

1.2: 68 percent / tetrahydrofuran / 2 h / 20 °C

2.1: 100 percent / 10 percent aq. NaOH / ethanol / Heating

With sodium hydroxide; sodium hydride; In tetrahydrofuran; ethanol;

DOI:10.1016/S0960-894X(02)00380-3

upstream raw materials:

ethyl 3-methoxy-1-methyl-1H-pyrazole-4-carboxylate

ethyl 3-methoxy-1H-pyrazole-4-carboxylate

Downstream raw materials:

N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide

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