N-(4-Methoxyphenyl)-N'-phenylthiourea

Base Information

• Chemical Name: N-(4-Methoxyphenyl)-N'-phenylthiourea
• CAS No.: 1219-96-1
• Molecular Formula: C14H14 N2 O S
• Molecular Weight: 258.344
• Hs Code.: 2930909090
• NSC Number: 191411
• DSSTox Substance ID: DTXSID90350708
• Nikkaji Number: J1.263.969D
• ChEMBL ID: CHEMBL1599555
• Mol file: 1219-96-1.mol

Synonyms:N-(4-Methoxyphenyl)-N'-phenylthiourea;1-(4-methoxyphenyl)-3-phenylthiourea;NSC191411;1219-96-1;MLS000756424;CHEMBL1599555;NSC-191411;TimTec1_001692;Oprea1_765799;CBDivE_001987;MLS001183522;SCHEMBL1259295;DTXSID90350708;JMKRMQGOPWYOGL-UHFFFAOYSA-N;HMS1538M20;HMS2835K11;HMS2886J19;BDBM50356177;CCG-36781;NCGC00014542;NCI191411;STK061009;AKOS000485710;NCGC00014542-02;NCGC00014542-03;NCGC00097646-01;NCGC00097646-02;N-(4-Methoxyphenyl)-N'-phenylthiourea #;NCI60_001607;SMR000502012;SMR000528725;1-(p-Methoxyphenyl)-3-phenyl-2-thiourea;3-(4-METHOXYPHENYL)-1-PHENYLTHIOUREA;1-(4-METHOXY-PHENYL)-3-PHENYL-THIOUREA;AB00073704-01;SR-01000195271;SR-01000195271-1

Chemical Property of N-(4-Methoxyphenyl)-N'-phenylthiourea

Chemical Property:

• Vapor Pressure: 3.48E-06mmHg at 25°C
• Boiling Point: 386.7°Cat760mmHg
• Flash Point: 187.7°C
• PSA: 65.38000
• Density: 1.28g/cm³
• LogP: 3.65010
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 258.08268425
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

1-(4-METHOXY-PHENYL)-3-PHENYL-THIOUREA 95.00% ^*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=CC=C2

Technology Process of N-(4-Methoxyphenyl)-N'-phenylthiourea

There total 17 articles about N-(4-Methoxyphenyl)-N'-phenylthiourea 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: 99.0%

phenyl isothiocyanate (103-72-0) + 4-methoxy-aniline (104-94-9) → N-(p-methoxyphenyl)-N'-phenylthiourea (1219-96-1)

Guidance literature:

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

DOI:10.1039/c2gc35799b

Reference yield: 99.0%

aniline (62-53-3) + 4-Methoxyphenyl isothiocyanate (2284-20-0) → N-(p-methoxyphenyl)-N'-phenylthiourea (1219-96-1)

Guidance literature:

In neat (no solvent); at 25 ℃; for 0.25h; Milling;

DOI:10.1039/c2gc35799b

Reference yield: 92.0%

ethyl (4-methoxyphenyl)carbamodithioate (56134-95-3) + aniline (62-53-3) → N-(p-methoxyphenyl)-N'-phenylthiourea (1219-96-1)

Guidance literature:

at 60 ℃; Neat (no solvent);

DOI:10.1016/j.tetlet.2008.10.063

upstream raw materials:

phenyl isothiocyanate

4-methoxy-aniline

aniline

4-Methoxyphenyl isothiocyanate

Downstream raw materials:

1-acetyl-3-(p-methoxyphenyl)-1-phenylurea

4-methoxy-N-((phenylimino)methylene)aniline

phenyl isothiocyanate

aniline

Refernces

• 1、 Zhu, Xiancui,Xu, Mengchen,Sun, Jinrong,Guo, Dianjun,Zhang, Yiwei,Zhou, Shuangliu,Wang, Shaowu. "Hydroamination and Hydrophosphination of Isocyanates/Isothiocyanates under Catalyst-Free Conditions". . p. 5213 - 5218. Retrieved 2021/10/19.
• 2、 Schaufelberger, Fredrik,Seigel, Karolina,Ramstr?m, Olof. "Hydrogen-Bond Catalysis of Imine Exchange in Dynamic Covalent Systems". supporting information. p. 15581 - 15588. Retrieved 2020/10/02.