5-Isothiazolecarbonitrile, 3-methyl-4-nitro-

Base Information

• Chemical Name: 5-Isothiazolecarbonitrile, 3-methyl-4-nitro-
• CAS No.: 4577-00-8
• Molecular Formula: C5H3N3O2S
• Molecular Weight: 169.16100
• Mol file: 4577-00-8.mol

Synonyms:3-methyl-4-nitro-isothiazole-5-carbonitrile;5-cyan-3-methyl-4-nitro-isothiazol;

Chemical Property of 5-Isothiazolecarbonitrile, 3-methyl-4-nitro-

Chemical Property:

• Melting Point: 105 - 107 °C
• PSA: 110.74000
• LogP: 1.75458

Purity/Quality:

95% ^*data from raw suppliers

3-Methyl-4-nitro-isothiazole-5-carbonitrile 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-Isothiazolecarbonitrile, 3-methyl-4-nitro-

There total 2 articles about 5-Isothiazolecarbonitrile, 3-methyl-4-nitro- 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:

5-bromo-3-methyl-4-nitro-1,2-thiazole (35610-98-1) + copper(l) cyanide → 3,3'-dimethyl-4,4'-dinitro-5,5'-bisisothiazole + 3-methyl-4-nitro-5-isothiazolecarbonitrile (4577-00-8) + 3-methyl-4-nitroisothiazole-5-carboxamide (4592-52-3)

Guidance literature:

In n-heptane; N,N-dimethyl-formamide;

DOI:10.1016/j.molstruc.2019.06.028

Reference yield:

5-bromo-3-methyl-4-nitro-1,2-thiazole (35610-98-1) + copper(I) cyanide (544-92-3) → 3-methyl-4-nitro-5-isothiazolecarbonitrile (4577-00-8)

Guidance literature:

In N,N-dimethyl-formamide; Petroleum ether;

DOI:10.1039/jr9650007277

Reference yield:

3-methyl-4-nitro-5-isothiazolecarbonitrile (4577-00-8) → 4-Amino-3-methyl-isothiazol-5-carbonsaeure (4592-56-7)

Guidance literature:

With barium dihydroxide; iron(II) sulfate; In water;

DOI:10.1039/jr9650007277

upstream raw materials:

5-bromo-3-methyl-4-nitro-1,2-thiazole

copper(I) cyanide

Downstream raw materials:

4-Amino-3-methyl-isothiazol-5-carbonsaeure

3-methyl-4-nitro-5-isothiazolecarboxylic acid

4-Amino-5-carbamoyl-3-methyl-isothiazol

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