1-(3-Chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

Base Information

• Chemical Name: 1-(3-Chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
• CAS No.: 6096-37-3
• Molecular Formula: C16H24ClN3S
• Molecular Weight: 325.8999
• DSSTox Substance ID: DTXSID80976431
• Wikidata: Q82961326
• Mol file: 6096-37-3.mol

Synonyms:6096-37-3;SR-01000227470;CBMicro_045351;1-(3-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea;Oprea1_802515;DTXSID80976431;NCGC00319286-01;BIM-0045312.P001;AB01315356-02;SR-01000227470-1;SR-01000227470-2;N'-(3-Chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidothioic acid

Chemical Property of 1-(3-Chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

Chemical Property:

• Vapor Pressure: 8.48E-07mmHg at 25°C
• Boiling Point: 405.9°C at 760 mmHg
• Flash Point: 199.3°C
• Density: 1.18g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 325.1379466
• Heavy Atom Count: 21
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(CC(N1)(C)C)NC(=S)NC2=CC(=CC=C2)Cl)C

Technology Process of 1-(3-Chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

There total 2 articles about 1-(3-Chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea 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:

ethyl 2,2-dimethyl-3-oxobutanoate (597-04-6) + ethylene glycol (107-21-1) → carbethoxy-1 ethylene dioxy-2 dimethyl-1,1 propane (6096-37-3)

Guidance literature:

Reference yield:

→ carbethoxy-1 ethylene dioxy-2 dimethyl-1,1 propane (6096-37-3)

Guidance literature:

α,α-Dimethylacetessigester, Aethylenglykol, p-Toluolsulfonsaeure, sd. Benzol, 30 Stdn.;

Reference yield:

carbethoxy-1 ethylene dioxy-2 dimethyl-1,1 propane (6096-37-3) → 3,3-dimethyl-2H-pyran-4(3H)-one (625099-32-3)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 °C

2: silica gel; oxalic acid / dichloromethane / 12 h / 20 °C

3: orthoformic acid triethyl ester; tin(IV) chloride / dichloromethane / 2 h / -20 - 0 °C

With lithium aluminium tetrahydride; oxalic acid; silica gel; tin(IV) chloride; orthoformic acid triethyl ester; In tetrahydrofuran; dichloromethane;

upstream raw materials:

ethyl 2,2-dimethyl-3-oxobutanoate

ethylene glycol

Downstream raw materials:

α,α-Dimethyl-acetessigsaeureethylester-2,4-dinitro-phenylhydrazon

3,3-dimethyl-2H-pyran-4(3H)-one