5,5-dimethyltetrahydropyrimidine-2(1H)-thione

Base Information

• Chemical Name: 5,5-dimethyltetrahydropyrimidine-2(1H)-thione
• CAS No.: 82175-38-0
• Molecular Formula: C6H12N2S
• Molecular Weight: 144.241
• DSSTox Substance ID: DTXSID00397604
• Nikkaji Number: J2.489.216F
• Wikidata: Q82199096

Synonyms:82175-38-0;5,5-dimethyltetrahydropyrimidine-2(1H)-thione;5,5-dimethyl-1,3-diazinane-2-thione;5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol;5,5-dimethyl-1,4,5,6-tetrahydropyrimidine-2-thiol;5,5-dimethyltetrahydro-2(1H)-pyrimidinethione;SCHEMBL988854;SCHEMBL8880798;DTXSID00397604;MIMZDJBZXJJJKQ-UHFFFAOYSA-N;HMS1784L22;MFCD03368382;AKOS000116338;AKOS003277881;LS-08376;EN300-03458;tetrahydro-5,5-dimethyl-2(1H)-pyrimidinethione;Z56851192;5,5-Dimethyl-3,4,5,6-tetrahydro(1H)pyrimidine-2-thione;5,5-Dimethyl-3,4,5,6-tetrahydropyrimidine-2(1H)-thione

Chemical Property of 5,5-dimethyltetrahydropyrimidine-2(1H)-thione

Chemical Property:

• PSA: 63.19000
• LogP: 0.66600
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.07211956
• Heavy Atom Count: 9
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

5,5-dimethyl-1,4,5,6-tetrahydropyrimidine-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CNC(=S)NC1)C

Technology Process of 5,5-dimethyltetrahydropyrimidine-2(1H)-thione

There total 4 articles about 5,5-dimethyltetrahydropyrimidine-2(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: 93.0%

carbon disulfide (75-15-0,12122-00-8) + 2,2-Dimethyl-1,3-diaminopropane (7328-91-8) → 5,5-dimethyltetrahydro-2(1H)-pyrimidinethione (82175-38-0)

Guidance literature:

With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In ethanol; at 20 ℃; for 3h;

DOI:10.1021/jm0704752

Reference yield: 93.0%

carbon disulfide (75-15-0,12122-00-8) + trifluoro-acetic acid; compound with 2,2-dimethyl-propane-1,3-diamine → 5,5-dimethyltetrahydro-2(1H)-pyrimidinethione (82175-38-0)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In ethanol; at 20 ℃; for 3h;

DOI:10.3987/com-00-8884

Reference yield: 35.0%

2,2-Dimethyl-1,3-diaminopropane (7328-91-8) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 5,5-dimethyltetrahydro-2(1H)-pyrimidinethione (82175-38-0)

Guidance literature:

In dichloromethane; at 0 ℃; for 4h; Inert atmosphere;

upstream raw materials:

carbon disulfide

2,2-Dimethyl-1,3-diaminopropane

1,1'-Thiocarbonyldiimidazole

Downstream raw materials:

tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone

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