2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one

Base Information

• Chemical Name: 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one
• CAS No.: 13576-20-0
• Molecular Formula: C3H6 N4 O
• Molecular Weight: 114.107
• DSSTox Substance ID: DTXSID30159510
• Nikkaji Number: J661.658E
• Wikidata: Q83027838
• Mol file: 13576-20-0.mol

Synonyms:2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one;13576-20-0;1,4-Dimethyl-2-tetrazolin-5-one;1,4-dimethylte trazolone;SCHEMBL2206771;DTXSID30159510;AKOS006292180

Chemical Property of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one

Chemical Property:

• Vapor Pressure: 30.7mmHg at 25°C
• Boiling Point: 104.5°Cat760mmHg
• Flash Point: 17°C
• Density: 1.45g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 114.05416083
• Heavy Atom Count: 8
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)N(N=N1)C

Technology Process of 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one

There total 6 articles about 2,2-Dihydro-1,3-dimethyl-1H-tetrazol-2-one 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + tetrazolone (16421-52-6) → 5-oxo-1,4-dimethyl-1,4-dihydro-5H-tetrazole (13576-20-0)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01583a044

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1-methyl-1,4-dihydro-5H-tetrazol-5-one (61795-72-0) → 5-oxo-1,4-dimethyl-1,4-dihydro-5H-tetrazole (13576-20-0)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01583a044

Reference yield:

tetrazolone (16421-52-6) → 5-oxo-1,4-dimethyl-1,4-dihydro-5H-tetrazole (13576-20-0) + 5-methoxy-1-methyl-1H-tetrazole

Guidance literature:

With diazomethane; diethyl ether;

DOI:10.1021/ja01583a044

upstream raw materials:

diazomethane

tetrazolone

1-methyl-1,4-dihydro-5H-tetrazol-5-one

Downstream raw materials:

N,N'-Dimethylurea

dimethyldiaziridinone

methyl isocyanate

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