1,3-Bis(4-methoxyphenyl)thiourea

Base Information

• Chemical Name: 1,3-Bis(4-methoxyphenyl)thiourea
• CAS No.: 1227-45-8
• Molecular Formula: C15H16 N2 O2 S
• Molecular Weight: 288.37
• Hs Code.: 2930909090
• European Community (EC) Number: 653-869-9
• NSC Number: 164990
• DSSTox Substance ID: DTXSID20153683
• Nikkaji Number: J83.784I
• Mol file: 1227-45-8.mol

Synonyms:1,3-bis(4-methoxyphenyl)thiourea;1227-45-8;N,N'-Bis(4-methoxyphenyl)thiourea;Thiourea, N,N'-bis(4-methoxyphenyl)-;Di-p-methoxyphenylthiourea;Urea, 1,3-bis(p-methoxyphenyl)-2-thio-;Carbanilide, 4,4'-dimethoxythio-;Di(p-methoxyphenyl)thiourea;NSC 164990;BRN 0674430;NSC164990;C06;Oprea1_160503;Carbanilide,4'-dimethoxythio-;SCHEMBL8167087;WLN: 1OR DMYUS&MR DO1;DTXSID20153683;Thiourea,N'-bis(4-methoxyphenyl)-;CCG-53869;MFCD00025792;STK805057;4,4'-DIMETHOXYTHIOCARBANILIDE;AKOS000121526;Urea,3-bis(p-methoxyphenyl)-2-thio-;NSC-164990;AS-62918;LS-159075;B4482;CS-0182196;SR-01000005200;SR-01000005200-1;SR-01000005200-2;Z45798708;F0207-0869

Chemical Property of 1,3-Bis(4-methoxyphenyl)thiourea

Chemical Property:

• Vapor Pressure: 2.51E-07mmHg at 25°C
• Melting Point: 185.0 to 189.0 °C
• Boiling Point: 421.9°Cat760mmHg
• PKA: 12.10±0.70(Predicted)
• Flash Point: 209°C
• PSA: 74.61000
• Density: 1.277g/cm³
• LogP: 3.65870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 288.09324893
• Heavy Atom Count: 20
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

1,3-Bis(4-methoxyphenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC

Technology Process of 1,3-Bis(4-methoxyphenyl)thiourea

There total 33 articles about 1,3-Bis(4-methoxyphenyl)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: 100.0%

sodium trithiocarbonate (534-18-9) + 4-methoxy-aniline (104-94-9) → 1-methyl-2-pyridinethione (2044-27-1) + 1,3-bis-(p-methoxyphenyl)thiourea (1227-45-8)

Guidance literature:

With 2-chloro-1-methyl-pyridinium iodide; In dimethyl sulfoxide; at 40 ℃; for 0.0166667h;

DOI:10.1246/cl.1982.641

Reference yield: 99.0%

4-methoxy-aniline (104-94-9) + 4-Methoxyphenyl isothiocyanate (2284-20-0) → 1,3-bis-(p-methoxyphenyl)thiourea (1227-45-8)

Guidance literature:

In acetonitrile; at 25 ℃; for 0.166667h; Milling;

DOI:10.1039/c2gc35799b

Reference yield: 99.0%

4-methoxy-aniline (104-94-9) + bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione (4314-19-6) → 1,3-bis-(p-methoxyphenyl)thiourea (1227-45-8)

Guidance literature:

4-methoxy-aniline; bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione; In acetonitrile; for 0.166667h; Milling;

With sodium carbonate; In acetonitrile; for 0.166667h; Milling;

DOI:10.1002/anie.201502026

upstream raw materials:

carbon disulfide

4-methoxy-aniline

thiophosgene

p-methoxyphenylisonitrile

Downstream raw materials:

N,N'-bis-(4-methoxy-phenyl)-S-methyl-isothiourea

(4-methoxy-phenyl)-[3-(4-methoxy-phenyl)-3H-thiazolo[4,5-b]quinoxalin-2-ylidene]-amine

2-(p-methoxyphenylimino)-3-(p-methoxyphenyl)-4-(p-ethoxyphenyl)-Δ4-thiazoline

O-ethyl N-(4-methoxyphenyl)thiocarbamate

Refernces

• 1、 Abd-Elaziz, Arwa M.,Aly, Hala M.,Fouad, Sawsan A.,Fouda, Amr,Ismail, Abla A.,Saleh, Nashwa M.. "Synthesis and characterization of the novel pyrimidine’s derivatives, as a promising tool for antimicrobial agent and in-vitro cytotoxicity". . . Retrieved 2021/11/22.
• 2、 Vlatkovi?, Matea,Feringa, Ben L.. "Unclicking of thioureas: Base catalyzed elimination of anilines and isothiocyanates from thioureas". . p. 2188 - 2192. Retrieved 2019/03/05.