N-(2-Hydroxyethyl)-N-methyl-N'-[1-(4-octylphenyl)ethyl]thiourea

Base Information

• Chemical Name: N-(2-Hydroxyethyl)-N-methyl-N'-[1-(4-octylphenyl)ethyl]thiourea
• CAS No.: 61290-71-9
• Molecular Formula: C₂₀H₃₄N₂OS
• Molecular Weight: 350.569
• DSSTox Substance ID: DTXSID50504720

Synonyms:61290-71-9;DTXSID50504720;N-(2-Hydroxyethyl)-N-methyl-N'-[1-(4-octylphenyl)ethyl]thiourea

Chemical Property of N-(2-Hydroxyethyl)-N-methyl-N'-[1-(4-octylphenyl)ethyl]thiourea

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 350.23918489
• Heavy Atom Count: 24
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)C(C)NC(=S)N(C)CCO

Technology Process of N-(2-Hydroxyethyl)-N-methyl-N'-[1-(4-octylphenyl)ethyl]thiourea

There total 2 articles about N-(2-Hydroxyethyl)-N-methyl-N'-[1-(4-octylphenyl)ethyl]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-hydroxyethyl)(methyl)amine (109-83-1) + 1-(4-Octyl-phenyl)-ethylamine (74788-18-4) → 1-(2-Hydroxy-ethyl)-1-methyl-3-[1-(4-octyl-phenyl)-ethyl]-thiourea (61290-71-9)

Guidance literature:

Yield given. Multistep reaction;

Reference yield:

(2-hydroxyethyl)(methyl)amine (109-83-1) + 1-(1-Isothiocyanato-ethyl)-4-octyl-benzene → 1-(2-Hydroxy-ethyl)-1-methyl-3-[1-(4-octyl-phenyl)-ethyl]-thiourea (61290-71-9)

Guidance literature:

Reference yield: 39.1%

1-(2-Hydroxy-ethyl)-1-methyl-3-[1-(4-octyl-phenyl)-ethyl]-thiourea (61290-71-9) → [3-Methyl-thiazolidin-(2Z)-ylidene]-[1-(4-octyl-phenyl)-ethyl]-amine (74788-36-6)

Guidance literature:

In hydrogenchloride; for 3h; Heating;

upstream raw materials:

(2-hydroxyethyl)(methyl)amine

1-(4-Octyl-phenyl)-ethylamine

Downstream raw materials:

[3-Methyl-thiazolidin-(2Z)-ylidene]-[1-(4-octyl-phenyl)-ethyl]-amine

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