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

Base Information

Chemical Name:3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid
CAS No.:799835-40-8
Molecular Formula:C5H5IN2O2
Molecular Weight:252.011
Hs Code.:
European Community (EC) Number:855-245-3
DSSTox Substance ID:DTXSID901251481

Synonyms:3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid;799835-40-8;3-iodo-1-methylpyrazole-4-carboxylic acid;SCHEMBL647307;HABVPNAKDPNEEK-UHFFFAOYSA-N;DTXSID901251481;iodo-N-methylpyrazole-4-carboxylic;ZGB83540;MFCD28142291;AKOS032958987;CS-16422;CS-0097442;3-iodo-1-methyl-1H-pyrazole-4-carboxylicacid;D71949;EN300-268735

Suppliers and Price of 3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

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

Chemical Property:

XLogP3:0.4
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:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

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

There total 4 articles about 3-iodo-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: 94.5%

: 799835-39-5
ethyl 3-iodo-1-methyl-1H-pyrazole-4-carboxylate

: 799835-40-8
3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: With water; sodium hydroxide; In methanol; at 50 ℃; for 1h;

Reference yield:

: 21230-43-3
3-amino-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

: 799835-40-8
3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: sulfuric acid / water; acetonitrile / 0.17 h / 0 °C

1.2: 10 - 20 °C

1.3: 0.5 h / 0 - 5 °C

2.1: sodium hydroxide / water / 1 h / 50 °C

With sulfuric acid; sodium hydroxide; In water; acetonitrile; 1.1: |Sandmeyer Reaction / 1.2: |Sandmeyer Reaction / 1.3: |Sandmeyer Reaction;
DOI:10.1021/acs.orglett.5b01248

Reference yield:

: 3-(N-benzyliden-N-methyl-hydrazino)-2-cyano-acrylic acid ethyl ester

: 799835-40-8
3-iodo-1-methyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: hydrogenchloride / ethanol; water / 1.33 h / 20 °C / Heating / reflux

2: Isovaleronitrile; methyl iodide / 0.25 h / 100 °C

3: potassium hydroxide; ethanol; water / 48 h / 20 °C

With hydrogenchloride; potassium hydroxide; ethanol; Isovaleronitrile; water; methyl iodide; In ethanol; water;