4-Phenoxyphenylthiourea

Base Information

• Chemical Name: 4-Phenoxyphenylthiourea
• CAS No.: 76839-21-9
• Molecular Formula: C13H12N2OS
• Molecular Weight: 244.317
• Hs Code.: 2930909090
• European Community (EC) Number: 673-730-6
• DSSTox Substance ID: DTXSID00375124
• Nikkaji Number: J307.941D
• Wikidata: Q82163658
• Mol file: 76839-21-9.mol

Synonyms:4-phenoxyphenylthiourea;76839-21-9;(4-phenoxyphenyl)thiourea;1-(4-phenoxyphenyl)thiourea;1-(4-Phenoxyphenyl)-2-thiourea;N-(4-phenoxyphenyl)thiourea;amino[(4-phenoxyphenyl)amino]methane-1-thione;SCHEMBL653550;1-(4-phenoxyphenyl)2-thiourea;DTXSID00375124;Thiourea, N-(4-phenoxyphenyl)-;SSZWMEWZRURHTK-UHFFFAOYSA-N;MFCD00041185;AKOS005075728;N-(4-Phenoxyphenyl)thiourea, AldrichCPR;CS-0306665;FT-0619376;EN300-87364;10N-001;A838863

Chemical Property of 4-Phenoxyphenylthiourea

Chemical Property:

• Vapor Pressure: 4.42E-06mmHg at 25°C
• Melting Point: 175 °C
• Refractive Index: 1.705
• Boiling Point: 383.4 °C at 760 mmHg
• Flash Point: 185.6 °C
• PSA: 79.37000
• Density: 1.298 g/cm³
• LogP: 3.90770
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 244.06703418
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

98%Min ^*data from raw suppliers

N-(4-Phenoxyphenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)N

Technology Process of 4-Phenoxyphenylthiourea

There total 9 articles about 4-Phenoxyphenylthiourea 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: 95.6%

N-benzoyl-N'-(4-phenoxy-phenyl)-thiourea (76838-41-0) → 1-(4-phenoxyphenyl)-2-thiourea (76839-21-9)

Guidance literature:

With potassium hydroxide; In methanol; at 50 ℃; for 0.166667h;

DOI:10.1248/cpb.33.4409

Reference yield:

4-phenoxyanilin (139-59-3) → 1-(4-phenoxyphenyl)-2-thiourea (76839-21-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone / Ambient temperature

2: 2.0 N aq. NaOH / tetrahydrofuran / 3 h / Heating

With sodium hydroxide; In tetrahydrofuran; acetone;

DOI:10.1021/jm960785c

Reference yield:

potassium thioacyanate (333-20-0) → 1-(4-phenoxyphenyl)-2-thiourea (76839-21-9)

Guidance literature:

With water;

upstream raw materials:

N-benzoyl-N'-(4-phenoxy-phenyl)-thiourea

water

potassium thioacyanate

4-phenoxyphenyl isothiocyanate

Downstream raw materials:

(4-phenoxy-phenyl)-carbamonitrile

C₁₅H₁₂N₂O₂S

ethyl 3-isopropyl-7-phenoxy-4H-1,4-benzothiazine-2-carboxylate

2-amino-5-phenoxybenzenethiol

Refernces

• 1、 Sharma, Praveen Kumar,Fogla, Ankur,Rathore,Kumar. "Synthesis and antimicrobial activity of structurally flexible heterocycles with the 1,4-thiazine heterosystem". experimental part. p. 1103 - 1111. Retrieved 2012/04/17.
• 2、 -. "SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION". Page/Page column 42. . Retrieved 2010/02/10.