N-[1,2-Bis(4-methoxyphenyl)butyl]-N'-butylthiourea

Base Information

• Chemical Name: N-[1,2-Bis(4-methoxyphenyl)butyl]-N'-butylthiourea
• CAS No.: 79797-44-7
• Molecular Formula: C₂₃H₃₂N₂O₂S
• Molecular Weight: 400.585
• DSSTox Substance ID: DTXSID10403381
• NSC Number: 295446
• Mol file: 79797-44-7.mol

Synonyms:79797-44-7;NSC295446;N-[1,2-Bis(4-methoxyphenyl)butyl]-N'-butylthiourea;DTXSID10403381;NSC-295446

Chemical Property of N-[1,2-Bis(4-methoxyphenyl)butyl]-N'-butylthiourea

Chemical Property:

• Vapor Pressure: 8.64E-11mmHg at 25°C
• Boiling Point: 516.9°Cat760mmHg
• Flash Point: 266.4°C
• Density: 1.08g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 400.21844944
• Heavy Atom Count: 28
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=S)NC(C1=CC=C(C=C1)OC)C(CC)C2=CC=C(C=C2)OC

Technology Process of N-[1,2-Bis(4-methoxyphenyl)butyl]-N'-butylthiourea

There total 3 articles about N-[1,2-Bis(4-methoxyphenyl)butyl]-N'-butylthiourea 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: 82.0%

1,2-bis(p-methoxyphenyl)butylamine (76289-23-1) + butyl isothiocyanate (592-82-5) → 1-[1,2-Bis-(4-methoxy-phenyl)-butyl]-3-butyl-thiourea (79797-44-7)

Guidance literature:

In ethanol; for 0.5h; Heating;

DOI:10.1002/jps.2600700928

Reference yield:

1,2-bis(4-methoxyphenyl)butanone (4390-94-7) → 1-[1,2-Bis-(4-methoxy-phenyl)-butyl]-3-butyl-thiourea (79797-44-7)

Guidance literature:

Multi-step reaction with 3 steps

1: NH₂OH*HCl, potassium acetate / ethanol

2: 75 percent / aluminum amalgam / ethanol; H₂O / 48 h

3: 82 percent / ethanol / 0.5 h / Heating

With aluminium amalgam; hydroxylamine hydrochloride; potassium acetate; In ethanol; water;

DOI:10.1002/jps.2600700928

Reference yield:

1,2-bis-(4-methoxy-phenyl)-butan-1-one oxime (854870-99-8) → 1-[1,2-Bis-(4-methoxy-phenyl)-butyl]-3-butyl-thiourea (79797-44-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / aluminum amalgam / ethanol; H₂O / 48 h

2: 82 percent / ethanol / 0.5 h / Heating

With aluminium amalgam; In ethanol; water;

DOI:10.1002/jps.2600700928

upstream raw materials:

1,2-bis(p-methoxyphenyl)butylamine

butyl isothiocyanate

1,2-bis(4-methoxyphenyl)butanone

1,2-bis-(4-methoxy-phenyl)-butan-1-one oxime