2-Methoxypyridine-4-carbothioamide

Base Information

• Chemical Name: 2-Methoxypyridine-4-carbothioamide
• CAS No.: 929972-07-6
• Molecular Formula: C₇H₈N₂OS
• Molecular Weight: 168.219
• Hs Code.: 2933399090
• European Community (EC) Number: 961-404-9
• Mol file: 929972-07-6.mol

Synonyms:2-methoxypyridine-4-carbothioamide;929972-07-6;2-methoxy-4-pyridinecarbothioamide;2-methoxythioisonicotinamide;SCHEMBL5901562;KUMPRKLCQYVSEP-UHFFFAOYSA-N;AKOS000186594;SB54215;CS-0247540;EN300-36804;Z255149988

Chemical Property of 2-Methoxypyridine-4-carbothioamide

Chemical Property:

• Boiling Point: 303.324 °C at 760 mmHg
• Flash Point: 137.246 °C
• PSA: 80.23000
• Density: 1.263 g/cm³
• LogP: 1.42470
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.03573406
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

2-Methoxypyridine-4-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=CC(=C1)C(=S)N

Technology Process of 2-Methoxypyridine-4-carbothioamide

There total 3 articles about 2-Methoxypyridine-4-carbothioamide 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: 66.4%

4-cyano-2-methoxypyridine (72716-86-0) → 2-methoxypyridine-4-carbothioamide (929972-07-6)

Guidance literature:

4-cyano-2-methoxypyridine; With magnesium chloride; In N,N-dimethyl-formamide; for 0.0833333h; Inert atmosphere;

With sodium hydrogen sulfide; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/jm500833f

Reference yield:

3-methoxybenzonitrile (1527-89-5) → 2-methoxypyridine-4-carbothioamide (929972-07-6)

Guidance literature:

With pyridine; hydrogen sulfide; In triethylamine; at 20 ℃; for 24h;

Reference yield:

2-chloro-4-pyridinenitrile (33252-30-1) → 2-methoxypyridine-4-carbothioamide (929972-07-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere

1.2: 3 h / 20 °C / Inert atmosphere

2.1: magnesium chloride / N,N-dimethyl-formamide / 0.08 h / Inert atmosphere

2.2: 2 h / 20 °C

With sodium hydride; magnesium chloride; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/jm500833f

upstream raw materials:

3-methoxybenzonitrile

2-chloro-4-pyridinenitrile

4-cyano-2-methoxypyridine

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