1,3-Bis(3,4,5-trimethoxyphenyl)urea

Base Information

• Chemical Name: 1,3-Bis(3,4,5-trimethoxyphenyl)urea
• CAS No.: 1055-79-4
• Molecular Formula: C19H24 N2 O7
• Molecular Weight: 392.409
• NSC Number: 168406
• DSSTox Substance ID: DTXSID60304930
• Wikidata: Q82051276
• Mol file: 1055-79-4.mol

Synonyms:1,3-bis(3,4,5-trimethoxyphenyl)urea;1055-79-4;NSC168406;DTXSID60304930;STK513718;AKOS005456161;NSC-168406;N,N'-BIS(3,4,5-TRIMETHOXYPHENYL)UREA;BRD-K23340787-001-01-5

Chemical Property of 1,3-Bis(3,4,5-trimethoxyphenyl)urea

Chemical Property:

• Vapor Pressure: 9.78E-08mmHg at 25°C
• Boiling Point: 434°Cat760mmHg
• Flash Point: 216.3°C
• Density: 1.25g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 392.15835111
• Heavy Atom Count: 28
• Complexity: 413

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)NC2=CC(=C(C(=C2)OC)OC)OC

Technology Process of 1,3-Bis(3,4,5-trimethoxyphenyl)urea

There total 4 articles about 1,3-Bis(3,4,5-trimethoxyphenyl)urea 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: 76.0%

carbon dioxide (124-38-9,18923-20-1) + 3,4,5-Trimethoxyaniline (24313-88-0) → 1,3-bis(3,4,5-trimethoxyphenyl)urea (1055-79-4)

Guidance literature:

With iron(III) chloride; phenylsilane; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; In tetrahydrofuran; at 110 ℃; for 44h; under 760.051 Torr; Sealed tube;

DOI:10.1021/acs.joc.0c02032

Reference yield: 25.0%

carbon monoxide (201230-82-2) + 3,4,5-Trimethoxyaniline (24313-88-0) → bis(3,4,5-trimethoxyphenyl)diazene + 1,3-bis(3,4,5-trimethoxyphenyl)urea (1055-79-4)

Guidance literature:

With copper diacetate; air; palladium diacetate; In toluene; for 2h; under 760 Torr; Heating;

DOI:10.1021/jo060612n

Reference yield:

3,4,5-trimethoxybenzoyl azide (42543-45-3) → 1,3-bis(3,4,5-trimethoxyphenyl)urea (1055-79-4)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / Heating

2: H₂O

With water; In toluene;

DOI:10.1007/BF00908806

upstream raw materials:

3,4,5-trimethoxyphenylisocyanate

carbon monoxide

3,4,5-Trimethoxyaniline

3,4,5-trimethoxybenzoyl azide