4-(Benzylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione

Base Information

• Chemical Name: 4-(Benzylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
• CAS No.: 58913-45-4
• Molecular Formula: C₁₄H₁₈N₂S
• Molecular Weight: 246.376
• NSC Number: 351198
• DSSTox Substance ID: DTXSID90390821
• ChEMBL ID: CHEMBL2356907
• Mol file: 58913-45-4.mol

Synonyms:MLS003171092;58913-45-4;NSC351198;CHEMBL2356907;DTXSID90390821;NSC-351198;SMR001875001

Chemical Property of 4-(Benzylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Boiling Point: 370°Cat760mmHg
• Flash Point: 177.6°C
• Density: 1.13g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.11906976
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=CC(=S)N1)NCC2=CC=CC=C2)C

Technology Process of 4-(Benzylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione

There total 8 articles about 4-(Benzylamino)-2,2-dimethyl-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-(dimethylamino)-5,6-dihydro-6,6-dimethyl-2(1H)-pyridinthione (59743-23-6) → 4-benzylamino-6,6-dimethyl-5,6-dihydro-1H-pyridine-2-thione (58913-45-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.7 g / 1N KOH/H₂O / 16 h / Heating

2: 2.4 g / 3 h / Heating

With potassium hydroxide; water;

DOI:10.1007/BF00911085

Reference yield:

4-methylamino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione (58913-37-4) → 4-benzylamino-6,6-dimethyl-5,6-dihydro-1H-pyridine-2-thione (58913-45-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.6 g / 1N KOH/H₂O / 48 h / Heating

2: 2.4 g / 3 h / Heating

With potassium hydroxide; water;

DOI:10.1007/BF00911085

Reference yield:

4-Aminodihydro-2(1H)-pyridinthion (77747-74-1) → 4-benzylamino-6,6-dimethyl-5,6-dihydro-1H-pyridine-2-thione (58913-45-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.2 g / 1N KOH/H₂O / 16 h / Heating

2: 2.4 g / 3 h / Heating

With potassium hydroxide; water;

DOI:10.1007/BF00911085

upstream raw materials:

4-methylamino-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione

benzylamine

6,6-dimethyl-4-(phenylamino)-5,6-dihydropyridine-2(1H)-thione

5,6-Dihydro-4-hydroxy-6,6-dimethyl-2(1H)-pyridinthion

Downstream raw materials:

4-Benzylimino-2H-thiopyrano<2,3-b>pyridin-5,7-diol

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

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

Benzyl-(2,2-dimethyl-6-methylsulfanyl-2,3-dihydro-pyridin-4-yl)-amine; hydriodide