3-(4-Methoxyphenyl)-1,1-dimethylthiourea

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-1,1-dimethylthiourea
• CAS No.: 31124-88-6
• Molecular Formula: C10H14 N2 O S
• Molecular Weight: 210.3
• NSC Number: 157327
• DSSTox Substance ID: DTXSID50400354
• Nikkaji Number: J2.529.853E
• Mol file: 31124-88-6.mol

Synonyms:3-(4-methoxyphenyl)-1,1-dimethylthiourea;31124-88-6;NSC157327;1,1-dimethyl-3-(4-methoxyphenyl)-2-thiourea;SCHEMBL5452517;DTXSID50400354;JPDXJCNMWXNPGV-UHFFFAOYSA-N;STL482871;AKOS002743945;AKOS008944435;NSC-157327;1,1-Dimethyl-3-(4-methoxyphenyl)thiourea;3-(p-Methoxyphenyl)-1,1-dimethylthiourea;N'-(4-Methoxyphenyl)-N,N-dimethylthiourea #

Chemical Property of 3-(4-Methoxyphenyl)-1,1-dimethylthiourea

Chemical Property:

• Vapor Pressure: 0.00144mmHg at 25°C
• Boiling Point: 296.4°C at 760 mmHg
• Flash Point: 133°C
• Density: 1.18g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 210.08268425
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)NC1=CC=C(C=C1)OC

Technology Process of 3-(4-Methoxyphenyl)-1,1-dimethylthiourea

There total 3 articles about 3-(4-Methoxyphenyl)-1,1-dimethylthiourea 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: 72.0%

4-methoxy-aniline (104-94-9) + 5-Dimethylamino-3-phenyl-[1,4,2]dithiazol-1-ylium; perchlorate → 3-(4-methoxyphenyl)-1,1-dimethylthiourea (31124-88-6) + (4-Methoxy-phenyl)-[3-phenyl-[1,4,2]dithiazol-(5E)-ylidene]-amine

Guidance literature:

With picoline; In acetonitrile; for 6h; Ambient temperature;

DOI:10.1246/bcsj.61.4043

Reference yield:

dimethyl amine (124-40-3) + 4-Methoxyphenyl isothiocyanate (2284-20-0) → 3-(4-methoxyphenyl)-1,1-dimethylthiourea (31124-88-6)

Guidance literature:

With ethanol;

Reference yield:

Thiram (137-26-8,93196-73-7) + 4-methoxy-aniline (104-94-9) → 3-(4-methoxyphenyl)-1,1-dimethylthiourea (31124-88-6)

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1007/s10593-005-0200-x

upstream raw materials:

dimethyl amine

4-Methoxyphenyl isothiocyanate

4-methoxy-aniline

Thiram

Downstream raw materials:

6-methoxy-N,N-dimethylbenzo[d]thiazol-2-amine

4-Methoxyphenyl isothiocyanate

N¹-(p-methoxyphenyl)-N³-(3-mercapto-5-methyl)-1,2,4-triazol-4-yl thiourea

2-dimethylamino-benzothiazol-6-ol

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