3-(2-Hydroxyphenyl)-1,1-dimethylurea

Base Information

• Chemical Name: 3-(2-Hydroxyphenyl)-1,1-dimethylurea
• CAS No.: 83898-17-3
• Molecular Formula: C9H12 N2 O2
• Molecular Weight: 180.206
• Hs Code.: 2924299090
• European Community (EC) Number: 281-225-3
• UNII: 8RJS2XF3D4
• DSSTox Substance ID: DTXSID20232785
• Nikkaji Number: J332.836H
• Wikidata: Q83113936
• Mol file: 83898-17-3.mol

Synonyms:3-(2-Hydroxyphenyl)-1,1-dimethylurea;83898-17-3;EINECS 281-225-3;8RJS2XF3D4;UNII-8RJS2XF3D4;N'-(2-hydroxyphenyl)-N,N-dimethylurea;SCHEMBL4048833;DTXSID20232785;VYKYSTWKUAETPR-UHFFFAOYSA-N;N',N'-dimethyl-N-(hydroxyphenyl)urea;N-(2-Hydroxyphenyl)-N',N'-dimethylurea;Urea, N'-(2-hydroxyphenyl)-N,N-dimethyl-;1-(2-HYDROXYPHENYL)-3,3-DIMETHYLUREA

Chemical Property of 3-(2-Hydroxyphenyl)-1,1-dimethylurea

Chemical Property:

• Vapor Pressure: 6.56E-06mmHg at 25°C
• Boiling Point: 367.2°C at 760 mmHg
• Flash Point: 175.9°C
• PSA: 56.06000
• Density: 1.245g/cm³
• LogP: 1.49930
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)NC1=CC=CC=C1O

Technology Process of 3-(2-Hydroxyphenyl)-1,1-dimethylurea

There total 3 articles about 3-(2-Hydroxyphenyl)-1,1-dimethylurea 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: 56.0%

→ N',N'-dimethyl-N-(2-hydroxyphenyl)urea (83898-17-3)

Guidance literature:

In tetrahydrofuran;

Reference yield: 30.0%

2-Benzoxazolinone (59-49-4) + dimethyl amine (124-40-3) → N',N'-dimethyl-N-(2-hydroxyphenyl)urea (83898-17-3)

Guidance literature:

With hydrogenchloride; triethylamine; In ethanol; at 80 ℃;

DOI:10.1021/jf060351i

Reference yield:

fenuron (101-42-8) → 2-amino-N,N-dimethylbenzamide (6526-66-5) + 3-(4-hydroxyphenyl)-1,1-dimethylurea (2908-80-7) + 4-amino-N,N-dimethylbenzamide (6331-71-1) + N',N'-dimethyl-N-(2-hydroxyphenyl)urea (83898-17-3)

Guidance literature:

With humic acid; In water; Irradiation;

DOI:10.1002/(SICI)1096-9063(199602)46:2<151::AID-PS328>3.0.CO;2-#

upstream raw materials:

2-Benzoxazolinone

dimethyl amine

fenuron

Downstream raw materials:

3-[2-(3-tert-Butylamino-2-hydroxy-propoxy)-phenyl]-1,1-dimethyl-urea

3-[2-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-1,1-dimethyl-urea

Refernces

• 1、 Jolivalt,Neuville,Boyer,Kerhoas,Mougin. "Identification and formation pathway of laccase-mediated oxidation products formed from hydroxyphenylureas". . p. 5046 - 5054. Retrieved 2007/10/03.