1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea

Base Information

• Chemical Name: 1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea
• CAS No.: 564475-13-4
• Molecular Formula: C18H24ClN3O2S
• Molecular Weight: 381.926
• UNII: X5U1W7S3VQ
• Nikkaji Number: J1.903.508E
• Wikidata: Q27097259
• Metabolomics Workbench ID: 151176
• ChEMBL ID: CHEMBL497058

Synonyms:CAP-1;UNII-X5U1W7S3VQ;X5U1W7S3VQ;564475-13-4;1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea;CHEMBL497058;Urea, N-(3-chloro-4-methylphenyl)-N'-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-;JPR;SCHEMBL4221828;WEYNBWVKOYCCQT-UHFFFAOYSA-N;HMS3604C21;BDBM50490577;DB08027;Q27097259;1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea

Chemical Property of 1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 381.1277759
• Heavy Atom Count: 25
• Complexity: 414

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)NCCSCC2=CC=C(O2)CN(C)C)Cl

Technology Process of 1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea

There total 4 articles about 1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea 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: 81.0%

2-chloro-4-isocyanato-1-methylbenzene (28479-22-3) + 5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine (66356-53-4) → 1-(3-chloro-4-methylphenyl)-3-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)urea (564475-13-4)

Guidance literature:

In 1,2-dichloro-ethane; at 50 ℃; Inert atmosphere;

DOI:10.1039/c6ob01731b

Reference yield:

5-chloromethylfurfural (1623-88-7) → 1-(3-chloro-4-methylphenyl)-3-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)urea (564475-13-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hydride / tetrahydrofuran / 0.5 h / Schlenk technique; Inert atmosphere

1.2: 20 °C / Schlenk technique; Inert atmosphere

2.1: methanol / 0.67 h / 20 °C / Inert atmosphere

2.2: 0.33 h / 0 °C / Inert atmosphere

3.1: sodium hydroxide; water / 2.5 h / Reflux

4.1: 1,2-dichloro-ethane / 50 °C / Inert atmosphere

With water; sodium hydride; sodium hydroxide; In tetrahydrofuran; methanol; 1,2-dichloro-ethane;

DOI:10.1039/c6ob01731b

Reference yield:

5-hydroxymethyl-2-furfuraldehyde (67-47-0) → 1-(3-chloro-4-methylphenyl)-3-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)urea (564475-13-4)

Guidance literature:

Multi-step reaction with 5 steps

1.1: hydrogenchloride / dichloromethane; water / 20 °C

2.1: sodium hydride / tetrahydrofuran / 0.5 h / Schlenk technique; Inert atmosphere

2.2: 20 °C / Schlenk technique; Inert atmosphere

3.1: methanol / 0.67 h / 20 °C / Inert atmosphere

3.2: 0.33 h / 0 °C / Inert atmosphere

4.1: sodium hydroxide; water / 2.5 h / Reflux

5.1: 1,2-dichloro-ethane / 50 °C / Inert atmosphere

With hydrogenchloride; water; sodium hydride; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; 1,2-dichloro-ethane;

DOI:10.1039/c6ob01731b

upstream raw materials:

5-hydroxymethyl-2-furfuraldehyde

5-chloromethylfurfural

5-[[(2-acetamidoethyl)thio]methyl]furfural

2-chloro-4-isocyanato-1-methylbenzene

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 564475-13-4 Urea, N-(3-chloro-4-methylphenyl)-N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl] methyl]thio]ethyl]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send