8N595PQ2KF

Base Information

• Chemical Name: 8N595PQ2KF
• CAS No.: 31898-47-2
• Molecular Formula: C₁₃H₁₄N₄O₃S
• Molecular Weight: 306.345
• UNII: 8N595PQ2KF
• DSSTox Substance ID: DTXSID00953820
• Mol file: 31898-47-2.mol

Synonyms:31898-47-2;NSC-304379;N-[[2-(5-Nitro-2-furanyl)-4-thiazolyl]methylene]-1-piperidinamine;8N595PQ2KF;1-Piperidinamine, N-((2-(5-nitro-2-furanyl)-4-thiazolyl)methylene)-;DTXSID00953820;Piperidine, 1-[[[2-(5-nitro-2-furyl)-4-thiazolyl]methylene]amino]-;1-[2-(5-Nitrofuran-2-yl)-1,3-thiazol-4-yl]-N-(piperidin-1-yl)methanimine

Chemical Property of 8N595PQ2KF

Chemical Property:

• Vapor Pressure: 6.34E-11mmHg at 25°C
• Boiling Point: 520.2°Cat760mmHg
• Flash Point: 268.4°C
• Density: 1.5g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 306.07866149
• Heavy Atom Count: 21
• Complexity: 397

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)N=CC2=CSC(=N2)C3=CC=C(O3)[N+](=O)[O-]

Technology Process of 8N595PQ2KF

There total 6 articles about 8N595PQ2KF 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-nitrofuran-2-carbothioamide (59-84-7) → [2-(5-nitro-furan-2-yl)-thiazol-4-ylmethylene]-piperidin-1-yl-amine (31898-47-2)

Guidance literature:

Multi-step reaction with 5 steps

1: dimethylformamide

2: dimethylformamide

3: aq. HCl / dioxane

4: Na₂Cr₂O₇*2H₂O / acetic acid

5: AcOH / CHCl₃

With hydrogenchloride; sodium dichromate; acetic acid; In 1,4-dioxane; chloroform; acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00217a017

Reference yield:

[2-(5-nitro-furan-2-yl)-thiazol-4-yl]-methanol (31898-51-8) → [2-(5-nitro-furan-2-yl)-thiazol-4-ylmethylene]-piperidin-1-yl-amine (31898-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂Cr₂O₇*2H₂O / acetic acid

2: AcOH / CHCl₃

With sodium dichromate; acetic acid; In chloroform; acetic acid;

DOI:10.1021/jm00217a017

Reference yield:

4-chloromethyl-2-(5-nitro-furan-2-yl)-thiazole (13218-17-2) → [2-(5-nitro-furan-2-yl)-thiazol-4-ylmethylene]-piperidin-1-yl-amine (31898-47-2)

Guidance literature:

Multi-step reaction with 4 steps

1: dimethylformamide

2: aq. HCl / dioxane

3: Na₂Cr₂O₇*2H₂O / acetic acid

4: AcOH / CHCl₃

With hydrogenchloride; sodium dichromate; acetic acid; In 1,4-dioxane; chloroform; acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00217a017

upstream raw materials:

1-Aminopiperidine

2-(5-nitro-furan-2-yl)-thiazole-4-carbaldehyde

5-nitrofuran-2-carbothioamide

[2-(5-nitro-furan-2-yl)-thiazol-4-yl]-methanol

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