5-Iodo-1-methyl-1H-tetrazole

Base Information

• Chemical Name: 5-Iodo-1-methyl-1H-tetrazole
• CAS No.: 33452-18-5
• Molecular Formula: C2H3IN4
• Molecular Weight: 209.977
• Hs Code.: 2933990090
• European Community (EC) Number: 822-722-2
• DSSTox Substance ID: DTXSID20557682
• Wikidata: Q82439658
• Mol file: 33452-18-5.mol

Synonyms:5-Iodo-1-methyl-1H-tetrazole;33452-18-5;5-iodo-1-methyltetrazole;5-iodo-1-methyl-1H-tetrazole(SALTDATA;5-iodo-1-methyl-1H-1,2,3,4-tetrazole;C2H3IN4;SCHEMBL2739417;DTXSID20557682;HOTGKPZHBAAUIM-UHFFFAOYSA-N;MFCD12827507;AKOS006341677;AT34540;5-Iodo-1-methyl-1,2,3,4-tetrazole;BS-37904;5-Iodo-1-methyl-1H-tetrazole, AldrichCPR;EN300-209654

Chemical Property of 5-Iodo-1-methyl-1H-tetrazole

Chemical Property:

• PSA: 43.60000
• LogP: -0.18530
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 209.94024
• Heavy Atom Count: 7
• Complexity: 66.7

Purity/Quality:

99% ^*data from raw suppliers

5-iodo-1-methyl-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=N1)I

Technology Process of 5-Iodo-1-methyl-1H-tetrazole

There total 2 articles about 5-Iodo-1-methyl-1H-tetrazole 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: 75.0%

1-methyl-1,2,3,4-tetrazole (16681-77-9) → 5-iodo-1-methyl-1H-tetrazole (33452-18-5)

Guidance literature:

With potassium permanganate; sulfuric acid; iodine; In water; acetic acid; for 4h;

DOI:10.1007/BF00486692

Reference yield:

→ 5-iodo-1-methyl-1H-tetrazole (33452-18-5)

Guidance literature:

Tetrazolyllithium 2,I2;

DOI:10.1139/v71-346

Reference yield: 9.0%

5-iodo-1-methyl-1H-tetrazole (33452-18-5) + (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-({2-[cyclohexyl(ethyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl}methyl)oxazolidin-2-one → (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-({2-[(ethyl)(cyclohexyl)amino]-5-(1-methyl-1H-tetrazol-5-yl)pyridin-3-yl}methyl)oxazolidin-2-one

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; at 90 ℃; for 62h;

upstream raw materials:

1-methyl-1,2,3,4-tetrazole

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