2,2-Dimethyl-4-(2-methylpropylamino)-1,3-dihydropyridine-6-thione

Base Information

• Chemical Name: 2,2-Dimethyl-4-(2-methylpropylamino)-1,3-dihydropyridine-6-thione
• CAS No.: 58913-40-9
• Molecular Formula: C₁₁H₂₀N₂S
• Molecular Weight: 212.359
• DSSTox Substance ID: DTXSID90405383
• NSC Number: 351199
• Mol file: 58913-40-9.mol

Synonyms:58913-40-9;2,2-dimethyl-4-(2-methylpropylamino)-1,3-dihydropyridine-6-thione;NSC351199;DTXSID90405383;NSC-351199

Chemical Property of 2,2-Dimethyl-4-(2-methylpropylamino)-1,3-dihydropyridine-6-thione

Chemical Property:

• Vapor Pressure: 0.00232mmHg at 25°C
• Boiling Point: 288.5°Cat760mmHg
• Flash Point: 128.3°C
• Density: 1.02g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.13471982
• Heavy Atom Count: 14
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNC1=CC(=S)NC(C1)(C)C

Technology Process of 2,2-Dimethyl-4-(2-methylpropylamino)-1,3-dihydropyridine-6-thione

There total 1 articles about 2,2-Dimethyl-4-(2-methylpropylamino)-1,3-dihydropyridine-6-thione 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:

→ 4-isobutylamino-6,6-dimethyl-5,6-dihydro-1H-pyridine-2-thione (58913-40-9)

Guidance literature:

entspr. Isothiocyanatopentanon, Isobutylamin;

DOI:10.1007/BF00909092

Reference yield:

4-isobutylamino-6,6-dimethyl-5,6-dihydro-1H-pyridine-2-thione (58913-40-9) → 5,6-Dihydro-4-hydroxy-6,6-dimethyl-2(1H)-pyridinthion (77747-72-9)

Guidance literature:

With potassium hydroxide; water; for 72h; Heating;

DOI:10.1007/BF00911085

Reference yield:

bis(2,4,6-trichlorophenyl) ethylmalonate (15781-72-3) + 4-isobutylamino-6,6-dimethyl-5,6-dihydro-1H-pyridine-2-thione (58913-40-9) → 3-Ethyl-2-hydroxy-5-isobutylamino-7,7-dimethyl-6,7-dihydro-4H-thiopyrano<2,3-b>pyridin-4-on (82843-14-9) + 6-Ethyl-4-isobutylimino-5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-thiopyrano<2,3-b>pyridin-5,7-diol (82843-15-0) + 6-Ethyl-7-hydroxy-4-isobutylamino-2,2-dimethyl-2H-thiopyrano<2,3-b>pyridin-5(3H)-on (82843-16-1) + 3-Ethyl-4-hydroxy-1-isobutyl-7,7-dimethyl-5-thioxo-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-on (58913-57-8)

Guidance literature:

at 167 ℃; for 0.333333h; under 14 Torr;

DOI:10.1007/BF00800264

Downstream raw materials:

3-Ethyl-2-hydroxy-5-isobutylamino-7,7-dimethyl-6,7-dihydro-4H-thiopyrano<2,3-b>pyridin-4-on

6-Ethyl-4-isobutylimino-5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-thiopyrano<2,3-b>pyridin-5,7-diol

6-Ethyl-7-hydroxy-4-isobutylamino-2,2-dimethyl-2H-thiopyrano<2,3-b>pyridin-5(3H)-on

3-Ethyl-4-hydroxy-1-isobutyl-7,7-dimethyl-5-thioxo-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-on