1-(4-Methoxyphenyl)thiourea

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)thiourea
• CAS No.: 2293-07-4
• Molecular Formula: C8H10N2OS
• Molecular Weight: 182.246
• Hs Code.: 2930909090
• European Community (EC) Number: 218-931-8
• NSC Number: 402583,79869
• UNII: GF66AP2S55
• DSSTox Substance ID: DTXSID90177472
• Nikkaji Number: J30.220A
• ChEMBL ID: CHEMBL1094724
• Mol file: 2293-07-4.mol

Synonyms:1-(4-Methoxyphenyl)thiourea;2293-07-4;(4-Methoxyphenyl)thiourea;N-(4-Methoxyphenyl)thiourea;4-methoxyphenylthiourea;1-(4-Methoxyphenyl)-2-thiourea;p-Anisylthiourea;Thiourea, (4-methoxyphenyl)-;N-p-Anisylthiourea;(p-Methoxyphenyl)thiourea;N-(p-Methoxyphenyl)thiourea;Thiourea, N-(4-methoxyphenyl)-;4-Methoxyphenyl thiourea;UREA, 1-(p-METHOXYPHENYL)-2-THIO-;NSC 79869;4-Thioureidoanisole;NSC 402583;GF66AP2S55;Thiourea,N-(4-methoxyphenyl)-;EINECS 218-931-8;MFCD00004936;NSC-79869;NSC-402583;Thiourea, (4-methoxyphenyl)- (9CI);WLN: SUYZMR DO1;(4-Methoxy-phenyl)-thiourea;p-meth-oxyphenylthiourea;p-methoxyphenyl-thiourea;4-methoxyphenyl-thiourea;Maybridge1_001492;Amino[(4-methoxyphenyl)amino]methane-1-thione;UNII-GF66AP2S55;SCHEMBL526026;CHEMBL1094724;SCHEMBL10785078;1-(p-Methoxyphenyl)-2-thiourea;HMS545L18;DTXSID90177472;1-(P-METHOXYPHENYL)THIOUREA;NSC79869;BBL022901;NSC402583;STL364190;AKOS000113774;AS-38128;UPCMLD0ENAT0517-5486:001;LS-160448;BB 0218441;CS-0076933;FT-0605743;M2593;EN300-17329;A816432;AE-641/30147012;W-109770;Z56921428;F0777-0562

Chemical Property of 1-(4-Methoxyphenyl)thiourea

Chemical Property:

• Appearance/Colour: White to greyish powder
• Vapor Pressure: 0.00058mmHg at 25°C
• Melting Point: 223-225 °C
• Refractive Index: 1.677
• Boiling Point: 311 °C at 760 mmHg
• PKA: 13.13±0.70(Predicted)
• Flash Point: 141.9 °C
• PSA: 79.37000
• Density: 1.287 g/cm³
• LogP: 2.12400
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.05138412
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

(4-Methoxyphenyl)thiourea >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 23/24/25
• Safety Statements: 45-38-36/37/39-28A-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=S)N
• Uses: 1-(4-Methoxyphenyl)thiourea is a useful reagent in the one-pot multicomponent synthesis of thioureas derivatives with antibacterial properties.

Technology Process of 1-(4-Methoxyphenyl)thiourea

There total 35 articles about 1-(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%

ammonium hydroxide (1336-21-6) + ethyl (4-methoxyphenyl)carbamodithioate (56134-95-3) → 1-(4-methoxyphenyl)thiourea (2293-07-4)

Guidance literature:

at 60 ℃; Neat (no solvent);

DOI:10.1016/j.tetlet.2008.10.063

Reference yield: 95.0%

N-(4-anisyl)-N'-benzoylthiourea (21258-08-2) → 1-(4-methoxyphenyl)thiourea (2293-07-4)

Guidance literature:

With sodium hydroxide; at 80 - 90 ℃; for 0.133333h;

DOI:10.1055/s-1988-27605

Reference yield: 85.0%

4-methoxy-aniline (104-94-9) + thiourea (17356-08-0) → 1-(4-methoxyphenyl)thiourea (2293-07-4)

Guidance literature:

With choline chloride; tin(ll) chloride; at 130 ℃; for 8h; Green chemistry;

DOI:10.1039/d1nj01827b

upstream raw materials:

N-(4-methoxyphenyl)cyanamide

potassium thioacyanate

p-anisidine hydrochloride

ammonium thiocyanate

Downstream raw materials:

3-(4-methoxy-phenyl)-4-methyl-3H-thiazol-2-one-imine

(4-methoxy-phenyl)-(4-methyl-thiazol-2-yl)-amine

benzothiazol-2-yl-(4-methoxyphenyl)amine

2-(4-methoxyphenyl)amino-1,3-thiazol-4(5H)-one

Refernces

• 1、 Cai, Yang,Chen, Yinuo,Dong, Chune,Lan, Ke,Lei, Ping,Tang, Qi,Wu, Shuwen,Xu, Ting,Xu, Zhichao,Zhou, Hai-Bing,Zou, Wenting. "Discovery of aminothiazole derivatives as novel human enterovirus A71 capsid protein inhibitors". . . Retrieved 2022/03/15.
• 2、 Bagherzadeh, Nastaran,Sardarian, Ali Reza,Inaloo, Iman Dindarloo. "Green and efficient synthesis of thioureas, ureas, primary: O -thiocarbamates, and carbamates in deep eutectic solvent/catalyst systems using thiourea and urea". supporting information. p. 11852 - 11858. Retrieved 2021/07/12.