1-(2,6-Dimethylphenyl)-3-(2-hydroxyethyl)thiourea

Base Information

• Chemical Name: 1-(2,6-Dimethylphenyl)-3-(2-hydroxyethyl)thiourea
• CAS No.: 52266-60-1
• Molecular Formula: C₁₁H₁₆N₂OS
• Molecular Weight: 224.327
• DSSTox Substance ID: DTXSID40369663
• Wikidata: Q82156902

Synonyms:1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea;52266-60-1;N-(2,6-dimethylphenyl)-N'-(2-hydroxyethyl)thiourea;HMS561N13;Maybridge1_007163;Oprea1_023943;SCHEMBL11757878;DTXSID40369663;STL301467;AKOS022130542

Chemical Property of 1-(2,6-Dimethylphenyl)-3-(2-hydroxyethyl)thiourea

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.09833431
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=S)NCCO

Technology Process of 1-(2,6-Dimethylphenyl)-3-(2-hydroxyethyl)thiourea

There total 1 articles about 1-(2,6-Dimethylphenyl)-3-(2-hydroxyethyl)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:

2,6-dimethylphenyl isonitrile (119072-54-7,2769-71-3) + ethanolamine (141-43-5) → 1-(2,6-dimethyl-phenyl)-3-(2-hydroxy-ethyl)-thiourea (52266-60-1)

Guidance literature:

With sulfur; N,N,N',N'',N'''-pentamethyldiethylenetriamine; In 1,4-dioxane; water; at 80 ℃; for 0.5h;

DOI:10.1002/ejoc.202100548

Reference yield:

1-(2,6-dimethyl-phenyl)-3-(2-hydroxy-ethyl)-thiourea (52266-60-1) + α-bromoacetophenone (70-11-1) → 2-(2-((2,6-dimethylphenyl)imino)-4-phenylthiazol-3(2H)-yl)ethan-1-ol

Guidance literature:

In 1,4-dioxane; water; at 100 ℃; for 0.5h; regioselective reaction;

DOI:10.1002/ejoc.202100548

Reference yield:

1-(2,6-dimethyl-phenyl)-3-(2-hydroxy-ethyl)-thiourea (52266-60-1) → (4,5-dihydro-thiazol-2-yl)-(2,6-dimethyl-phenyl)-amine (25332-05-2)

Guidance literature:

With hydrogenchloride; at 100 - 105 ℃; for 6h;

upstream raw materials:

2,6-dimethylphenyl isonitrile

ethanolamine

Downstream raw materials:

(4,5-dihydro-thiazol-2-yl)-(2,6-dimethyl-phenyl)-amine

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