Dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate

Base Information

• Chemical Name: Dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate
• CAS No.: 1027819-68-6
• Molecular Formula: C7H7IN2O4
• Molecular Weight: 310.04595
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50594767
• Nikkaji Number: J2.568.530J
• Wikidata: Q82489672
• Mol file: 1027819-68-6.mol

Synonyms:Dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate;1027819-68-6;3,5-dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate;C7H7IN2O4;Dimethyl4-iodo-1H-pyrazole-3,5-dicarboxylate;SCHEMBL18560457;AMY5521;DTXSID50594767;CRB81968;CS1311;MFCD08689740;AKOS005072684;GA-0610;PB12547;DA-34799;CS-0053704;A896700;J-520363

Chemical Property of Dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate

Chemical Property:

• Melting Point: 176-178
• PSA: 81.28000
• LogP: 0.58750
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 309.94505
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

Dimethyl4-Iodo-1H-pyrazole-3,5-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=NN1)C(=O)OC)I
• Uses: Dimethyl 4-Iodo-1H-pyrazole-3,5-dicarboxylate is a useful chemical in organic synthesis.

Technology Process of Dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate

There total 2 articles about Dimethyl 4-iodo-1H-pyrazole-3,5-dicarboxylate 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: 95.0%

1H-pyrazole-3,5-dicarboxylic acid dimethyl ester hydrochloride → 4-iodo-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester (1027819-68-6)

Guidance literature:

With ammonium cerium(VI) nitrate; iodine; In acetonitrile; for 72h; Heating;

DOI:10.1055/s-2008-1032180

Reference yield:

3,5-dicarbomethoxypyrazole (4077-76-3) → 4-iodo-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester (1027819-68-6)

Guidance literature:

With ammonium cerium (IV) nitrate; iodine; In acetonitrile; Reflux;

DOI:10.1039/c0nj00774a

Reference yield: 95.0%

4-iodo-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester (1027819-68-6) → dimethyl-4-iodo-3,5-pyrazolecarboxylate hydrochloride (1313432-04-0)

Guidance literature:

With hydrogenchloride; In methanol; water; for 0.25h;

DOI:10.1039/c0nj00774a

upstream raw materials:

3,5-dicarbomethoxypyrazole

Downstream raw materials:

dimethyl-4-iodo-3,5-pyrazolecarboxylate hydrochloride

dimethyl-4-phenyl-1-(tetrahydropyran-2-yl)-3,5-pyrazolecarboxylate

3,5-bis(hydroxymethyl)-1H-pyrazole