N-Buta-2,3-dien-1-yl-N-(4-methylphenyl)thiourea

Base Information

• Chemical Name: N-Buta-2,3-dien-1-yl-N-(4-methylphenyl)thiourea
• CAS No.: 155304-03-3
• Molecular Formula: C₁₂H₁₄N₂S
• Molecular Weight: 218.323
• DSSTox Substance ID: DTXSID60565569
• Mol file: 155304-03-3.mol

Synonyms:155304-03-3;Thiourea, N-2,3-butadienyl-N-(4-methylphenyl)- (9CI);N-Buta-2,3-dien-1-yl-N-(4-methylphenyl)thiourea;1-buta-2,3-dienyl-1-(4-methylphenyl)thiourea;DTXSID60565569

Chemical Property of N-Buta-2,3-dien-1-yl-N-(4-methylphenyl)thiourea

Chemical Property:

• PSA: 65.89000
• LogP: 3.10680
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 218.08776963
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Buta-2,3-dien-1-yl-N-(4-methylphenyl)thiourea

There total 2 articles about N-Buta-2,3-dien-1-yl-N-(4-methylphenyl)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: 70.0%

Buta-2,3-dienyl-p-tolyl-cyanamide (155304-02-2) → 1-Buta-2,3-dienyl-1-p-tolyl-thiourea (155304-03-3)

Guidance literature:

With ammonium hydroxide; hydrogen sulfide; In methanol; Ambient temperature;

DOI:10.1016/S0040-4039(00)76764-5

Reference yield:

Prop-2-ynyl-p-tolyl-cyanamide (156361-76-1) → 1-Buta-2,3-dienyl-1-p-tolyl-thiourea (155304-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: CuBr, (iPr)2NH / tetrahydrofuran / 12 h / Heating

2: 70 percent / H₂S, NH₄OH / methanol / Ambient temperature

With ammonium hydroxide; hydrogen sulfide; diisopropylamine; copper(I) bromide; In tetrahydrofuran; methanol;

DOI:10.1016/S0040-4039(00)76764-5

upstream raw materials:

Buta-2,3-dienyl-p-tolyl-cyanamide

Prop-2-ynyl-p-tolyl-cyanamide