3-Hydroxy-1,2-dimethylpyridine-4(1H)-thione

Base Information

• Chemical Name: 3-Hydroxy-1,2-dimethylpyridine-4(1H)-thione
• CAS No.: 209248-75-9
• Molecular Formula: C7H9NOS
• Molecular Weight: 155.221
• ChEMBL ID: CHEMBL1650620
• DSSTox Substance ID: DTXSID00574019
• Nikkaji Number: J1.681.197A
• Wikidata: Q82462892
• Mol file: 209248-75-9.mol

Synonyms:209248-75-9;CHEMBL1650620;3-hydroxy-1,2-dimethyl-1,4-dihydropyridine-4-thione;3-Hydroxy-1,2-dimethylpyridine-4(1H)-thione;4(1H)-Pyridinethione, 3-hydroxy-1,2-dimethyl-;SCHEMBL1298184;DTXSID00574019;BDBM50485649;EN300-7072413

Chemical Property of 3-Hydroxy-1,2-dimethylpyridine-4(1H)-thione

Chemical Property:

• PSA: 57.25000
• LogP: 1.76860
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 155.04048508
• Heavy Atom Count: 10
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=S)C=CN1C)O

Technology Process of 3-Hydroxy-1,2-dimethylpyridine-4(1H)-thione

There total 1 articles about 3-Hydroxy-1,2-dimethylpyridine-4(1H)-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:

3-hydroxy-2-methylpyran-4(1H)-thione (23060-85-7) + methylamine (74-89-5) → 3-hydroxy-1,2-di-methylpyridine-4(1H)-thione (209248-75-9)

Guidance literature:

With hydrogenchloride; In water; at 165 ℃; for 0.025h; under 12929 Torr; Microwave irradiation;

DOI:10.1002/cmdc.200900516

Reference yield: 90.0%

zinc(II) acetate dihydrate (5970-45-6) + 3-hydroxy-1,2-di-methylpyridine-4(1H)-thione (209248-75-9) → bis(3-hydroxy-1,2-dimethyl-4(1H)-pyridinethione(-1H))zinc(II) (404959-69-9)

Guidance literature:

With NaOH; In methanol; water; ligand suspended in MeOH; dissolved by addition of aq. NaOH and H2O; Zn salt in H2O added dropwise; covered in Al foil; heated to reflux (ca. 95°C) under N2 for 30 min; filtered using fine glass frit; washed with water; dried in vac. oven with heat for ca. 12 h;

DOI:10.1039/b505034k

Reference yield: 20.0%

[(hydrotris(3,5-phenylmethylpyrazolyl)borato)CoCl] + 3-hydroxy-1,2-di-methylpyridine-4(1H)-thione (209248-75-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → [(hydrotris(3,5-phenylmethylpyrazolyl)borato)Co(3,4-HOPTO)]*0.25(benzene)

Guidance literature:

With (C₂H₅)3N; In methanol; dichloromethane; (C2H5)3N added to a soln. of Co complex, a soln. of ligand in MeOH added, stirred at room temp. under N2; evapd. (vac.), dissolved in C6H6, filtered, crystd. by diffusion of the soln. with pentane; elem. anal.;

DOI:10.1021/ic060901u

upstream raw materials:

3-hydroxy-2-methylpyran-4(1H)-thione

methylamine

Downstream raw materials:

bis(3-hydroxy-1,2-dimethyl-4(1H)-pyridinethione(-1H))zinc(II)