s-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-

Base Information

• Chemical Name: s-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-
• CAS No.: 41735-57-3
• Molecular Formula: C8H8N4O4
• Molecular Weight: 0
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80194572
• Nikkaji Number: J92.708B
• Wikidata: Q83067361
• Mol file: 41735-57-3.mol

Synonyms:41735-57-3;BRN 1137677;s-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-;4-Methyl-3-methoxy-5-(5-nitro-2-furyl)-s-triazole;3-Methoxy-4-methyl-5-(5-nitrofuran-2-yl)-4H-1,2,4-triazole;4H-1,2,4-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-;DTXSID80194572;LS-156057;4H-1,2,4-Triazole, 3-methoxy-4-methyl-5-(5-nitro-2-furanyl)-

Chemical Property of s-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-

Chemical Property:

• Vapor Pressure: 9.92E-07mmHg at 25°C
• Boiling Point: 403.8°C at 760 mmHg
• Flash Point: 198°C
• PSA: 98.90000
• Density: 1.58g/cm³
• LogP: 1.51510
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 224.05455475
• Heavy Atom Count: 16
• Complexity: 271

Purity/Quality:

4-METHYL-3-METHOXY-5-(5-NITRO-2-FURYL)-S-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=C1OC)C2=CC=C(O2)[N+](=O)[O-]

Technology Process of s-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)-

There total 4 articles about s-Triazole, 4-methyl-3-methoxy-5-(5-nitro-2-furyl)- 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-furan-2-yl-4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione (27106-14-5) → 3-methoxy-4-methyl-5-(5-nitro-furan-2-yl)-4H-[1,2,4]triazole (41735-57-3)

Guidance literature:

Multi-step reaction with 4 steps

1: ethanol

2: aq. H₂O₂ / acetic acid

3: NaOMe / Heating

4: HNO₃, H₂SO₄

With sulfuric acid; dihydrogen peroxide; nitric acid; sodium methylate; In ethanol; acetic acid;

DOI:10.1021/jm00262a002

Reference yield:

3-furan-2-yl-4-methyl-5-methylsulfanyl-4H-[1,2,4]triazole (41733-61-3) → 3-methoxy-4-methyl-5-(5-nitro-furan-2-yl)-4H-[1,2,4]triazole (41735-57-3)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. H₂O₂ / acetic acid

2: NaOMe / Heating

3: HNO₃, H₂SO₄

With sulfuric acid; dihydrogen peroxide; nitric acid; sodium methylate; In acetic acid;

DOI:10.1021/jm00262a002

Reference yield:

3-furan-2-yl-5-methoxy-4-methyl-4H-[1,2,4]triazole (41735-64-2) → 3-methoxy-4-methyl-5-(5-nitro-furan-2-yl)-4H-[1,2,4]triazole (41735-57-3)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/jm00262a002

upstream raw materials:

3-furan-2-yl-5-methoxy-4-methyl-4H-[1,2,4]triazole

5-furan-2-yl-4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione

3-furan-2-yl-4-methyl-5-methylsulfanyl-4H-[1,2,4]triazole

3-furan-2-yl-5-methanesulfonyl-4-methyl-4H-[1,2,4]triazole

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