4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid
• CAS No.: 75092-30-7
• Molecular Formula: C5H5IN2O2
• Molecular Weight: 252.011
• Hs Code.: 2933199090
• European Community (EC) Number: 640-130-0
• DSSTox Substance ID: DTXSID60350098
• Nikkaji Number: J944.292H
• Wikidata: Q72484039
• Mol file: 75092-30-7.mol

Synonyms:4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid;75092-30-7;4-iodo-1-methylpyrazole-5-carboxylic acid;4-iodo-2-methylpyrazole-3-carboxylic acid;4-Iodo-2-methyl-2H-pyrazole-3-carboxylic acid;1h-pyrazole-5-carboxylic acid, 4-iodo-1-methyl-;MFCD00461121;4-iodo-1-methyl-1H-pyrazole-5-carboxylicacid;IFLab1_001913;SCHEMBL2588985;DTXSID60350098;SZRMOKQNOJYMNK-UHFFFAOYSA-N;HMS1417G21;STK298891;AKOS000302042;CS-W019493;RS-0310;SY033485;A9586;AM20100729;BB 0254493;EU-0035610;FT-0678450;I0786;EN300-83506;4-iodo-2-methyl-2 h-pyrazole-3-carboxylic acid;SR-01000407658;SR-01000407658-1;F0451-3249;Z275170124

Chemical Property of 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 7E-06mmHg at 25°C
• Melting Point: 242°C(lit.)
• Refractive Index: 1.726
• Boiling Point: 362.2 °C at 760 mmHg
• PKA: 1.76±0.37(Predicted)
• Flash Point: 172.9 °C
• PSA: 55.12000
• Density: 2.26 g/cm³
• LogP: 0.72290
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 251.93957
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Iodo-1-methyl-1H-pyrazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid

There total 3 articles about 4-iodo-1-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: 78.3%

1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) → 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid (75092-30-7)

Guidance literature:

With potassium iodate; sulfuric acid; potassium iodide; In tetrachloromethane; water; at 66 ℃; for 3h;

DOI:10.1007/s11172-014-0438-5

Reference yield: 77.7%

4-iodo-1,5-dimethyl-1H-pyrazole (6647-96-7) → 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid (75092-30-7)

Guidance literature:

With potassium permanganate; In water; at 60 ℃;

Reference yield: 47.5%

ethyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid (1354705-42-2) → 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid (75092-30-7)

Guidance literature:

ethyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid; With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 25 ℃; for 2h;

With hydrogenchloride; In tetrahydrofuran; methanol; water; pH=4;

upstream raw materials:

4-iodo-1,5-dimethyl-1H-pyrazole

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

ethyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid

Downstream raw materials:

7-oxo-1-methyl-5-phenylpyrano<3,4-c>pyrazole

4-(2-Methoxy-phenylamino)-2-methyl-2H-pyrazole-3-carboxylic acid

1-methyl-4-[(4-methylphenyl)amino]-1H-pyrazole-5-carboxylic acid

4-(4-Chloro-phenylamino)-2-methyl-2H-pyrazole-3-carboxylic acid

Refernces

• 1、 -. "LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS". Paragraph 1002; 1006. . Retrieved 2014/07/23.
• 2、 Manaev, Yu. A.,Andreeva, M. A.,Perevalov, V. P.,Stepanov, B. I.,Dubrovskaya, V. A.,Seraya, V. I.. "SYNTHESIS FROM DIMETHYLPYRAZOLES V. NITRATION OF 4-HALOPYRAZOLE-3- AND -5-CARBOXYLIC ACIDS". . p. 2291 - 2296. Retrieved 2007/10/02.