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102-07-8,MFCD00003017
Catalog No.:AA00065F

102-07-8 | 1,3-Diphenylurea

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25g
95%
in stock  
$14.00   $10.00
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100g
95%
in stock  
$17.00   $12.00
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500g
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$21.00   $15.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00065F
Chemical Name:
1,3-Diphenylurea
CAS Number:
102-07-8
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD00003017
SMILES:
O=C(Nc1ccccc1)Nc1ccccc1
Properties
Properties
 
BP:
262.0°C  
Form:
Solid  
MP:
239-241 °C(lit.);  
Refractive Index:
1.6920 (estimate)  
Solubility:
pyridine: soluble50mg/mL, clear to very slightly hazy, colorless to faintly yellow  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
196  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
3  

Upstream Synthesis Route

[1]TetrahedronLetters,2001,vol.42,#11,p.2161-2163

[1]JournalofOrganicChemistry,1986,vol.51,#3,p.306-309

[1]GazzettaChimicaItaliana,1938,vol.68,p.516,520

[1]HelveticaChimicaActa,1937,vol.20,p.373,383

Downstream Synthesis Route

[1]ChemischeBerichte,1902,vol.35,p.3649

[1]CurrentPatentAssignee:WENZHOUUNIVERSITY-CN109535037,2019,ALocationinpatent:Paragraph0079-0081

[2]Mohr[JournalfurpraktischeChemie(Leipzig1954),1905,vol.<2>71,p.133]Rotermund[JustusLiebigsAnnalenderChemie,1875,vol.175,p.257,267]

[1]CurrentPatentAssignee:WENZHOUUNIVERSITY-CN109535037,2019,ALocationinpatent:Paragraph0085-0087

[2]Hantzsch[ChemischeBerichte,1894,vol.27,p.1250]

[1]JustusLiebigsAnnalenderChemie,1894,vol.283,p.20    ChemischeBerichte,1894,vol.27,p.33

[1]ArchivesofBiochemistry,1957,vol.69,p.514,519

Literature

Title: Simultaneous determination of triclosan, triclocarban, and transformation products of triclocarban in aqueous samples using solid-phase micro-extraction-HPLC-MS/MS.

Journal: Journal of separation science 20121001

Title: Analysis of the infrared and Raman spectra of the symmetrically substituted 1,3-diphenylurea and 1,3-diphenylacetone (dibenzyl ketone).

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120901

Title: Current advances in detection and treatment of babesiosis.

Journal: Current medicinal chemistry 20120401

Title: Fate of triclosan and triclocarban in soil columns with and without biosolids surface application.

Journal: Environmental toxicology and chemistry 20120201

Title: Identification of trans-4-[1-[[7-fluoro-2-(1-methyl-3-indolyl)-6-benzoxazolyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid as a potent, orally active VLA-4 antagonist.

Journal: Bioorganic & medicinal chemistry 20120201

Title: Brain insulin resistance and deficiency as therapeutic targets in Alzheimer's disease.

Journal: Current Alzheimer research 20120101

Title: Carbonylation of nitrobenzene in methanol with palladium bidentate phosphane complexes: an unexpectedly complex network of catalytic reactions, centred around a Pd-imido intermediate.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20111118

Title: The structure-activity relationship of urea derivatives as anti-tuberculosis agents.

Journal: Bioorganic & medicinal chemistry 20110915

Title: Selectivity of kinase inhibitor fragments.

Journal: Journal of medicinal chemistry 20110728

Title: Evaluation of mass spectrometric methods for detection of the anti-protozoal drug imidocarb.

Journal: Journal of analytical toxicology 20110501

Title: Identification of wastewater bacteria involved in the degradation of triclocarban and its non-chlorinated congener.

Journal: Journal of hazardous materials 20101115

Title: Dual-target-directed 1,3-diphenylurea derivatives: BACE 1 inhibitor and metal chelator against Alzheimer's disease.

Journal: Bioorganic & medicinal chemistry 20100801

Title: Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein.

Journal: The FEBS journal 20090301

Title: Synthesis and evaluation of fluoroquinolone derivatives as substrate-based inhibitors of bacterial efflux pumps.

Journal: European journal of medicinal chemistry 20081101

Title: In vitro biologic activities of the antimicrobials triclocarban, its analogs, and triclosan in bioassay screens: receptor-based bioassay screens.

Journal: Environmental health perspectives 20080901

Title: Fate of triclosan and evidence for reductive dechlorination of triclocarban in estuarine sediments.

Journal: Environmental science & technology 20080615

Title: 3,3'-Diphenyl-1,1'-[2,2'-oxybis(2,1-phenyl-ene)]diurea N,N-dimethyl-formamide disolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: The RET kinase inhibitor NVP-AST487 blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells.

Journal: Cancer research 20070715

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Electrochemically controlled hydrogen bonding. Redox-dependent formation of a 2:1 diarylurea/dinitrobenzene2- complex.

Journal: The Journal of organic chemistry 20051223

Title: Electrochemically controlled hydrogen bonding. Nitrobenzenes as simple redox-dependent receptors for arylureas.

Journal: Journal of the American Chemical Society 20050504

Title: Inhibition of neuronal Na+ channels by the novel antiepileptic compound DCUKA: identification of the diphenylureido moiety as an inactivation modifier.

Journal: Experimental neurology 20021101

Title: Metabolism of diphenylurea by a Marinobacter sp. isolated from a contaminated ephemeral stream bed in the Negev Desert.

Journal: FEMS microbiology letters 20020806

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