1,3-Di-9H-xanthen-9-ylurea

Base Information

• Chemical Name: 1,3-Di-9H-xanthen-9-ylurea
• CAS No.: 3746-45-0
• Molecular Formula: C27H20 N2 O3
• Molecular Weight: 420.467
• Hs Code.: 2932999099
• European Community (EC) Number: 223-140-6
• DSSTox Substance ID: DTXSID40190898
• Nikkaji Number: J217.642D
• Wikidata: Q83063359
• Mol file: 3746-45-0.mol

Synonyms:1,3-Di-9H-xanthen-9-ylurea;3746-45-0;EINECS 223-140-6;C27H20N2O3;1,3-bis(9H-xanthen-9-yl)urea;Dixanthylharnstoff;Urea, N,N'-di-9H-xanthen-9-yl-;Oprea1_364076;Oprea1_842625;SCHEMBL2893619;DTXSID40190898;N,N'-Di(9H-xanthen-9-yl)urea;STK035178;AKOS002233864;C27-H20-N2-O3

Chemical Property of 1,3-Di-9H-xanthen-9-ylurea

Chemical Property:

• Vapor Pressure: 8.56E-16mmHg at 25°C
• Boiling Point: 630.2°Cat760mmHg
• Flash Point: 335°C
• PSA: 59.59000
• Density: 1.38g/cm³
• LogP: 6.85800
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 420.14739250
• Heavy Atom Count: 32
• Complexity: 573

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(=O)NC4C5=CC=CC=C5OC6=CC=CC=C46

Technology Process of 1,3-Di-9H-xanthen-9-ylurea

There total 7 articles about 1,3-Di-9H-xanthen-9-ylurea 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: 96.0%

9-hydroxyxanthene (90-46-0) + urea (57-13-6) → N,N'-di-9H-xanthen-9-ylurea (3746-45-0)

Guidance literature:

With acetic acid;

DOI:10.1002/mrc.1270130307

Reference yield: 67.0%

9-hydroxyxanthene (90-46-0) + N-(9-Xanthenyl)harnstoff (74428-56-1) → N,N'-di-9H-xanthen-9-ylurea (3746-45-0)

Guidance literature:

With acetic acid; In methanol; at 20 ℃;

DOI:10.1002/mrc.1270130307

Reference yield: 60.0%

xanthylium perchlorate + urea (57-13-6) → N,N'-di-9H-xanthen-9-ylurea (3746-45-0)

Guidance literature:

With pyridine; for 24h; Ambient temperature;

upstream raw materials:

9-hydroxyxanthene

urea

bis(xanthen-9-yl)peroxide

N-(9-Xanthenyl)harnstoff

Downstream raw materials:

urea

Refernces

• 1、 Coxon, Bruce,Fatiadi, Alexander J.,Cohen, Alex,Hertz, Harry S.,Schaffer, Robert. "Nitrogen-15 NMR Evidence for the Structures of N-9 H-Xanthen-9-yl- and N,N'-Di-9H-xanthen-9-yl-Ureas". . p. 187 - 192. Retrieved 2007/10/02.