N-(3-(Phenylamino)allylidene)aniline

Base Information

• Chemical Name: N-(3-(Phenylamino)allylidene)aniline
• CAS No.: 4485-89-6
• Molecular Formula: C15H14 N2
• Molecular Weight: 222.29
• Hs Code.: 2925290090
• European Community (EC) Number: 661-361-3
• NSC Number: 84845
• DSSTox Substance ID: DTXSID70892075
• Nikkaji Number: J2.102.245D,J29.929D
• Mol file: 4485-89-6.mol

Synonyms:3-Anilinoacrolein anil;4485-89-6;N-(3-(Phenylamino)allylidene)aniline;N-[(E)-3-phenyliminoprop-1-enyl]aniline;3-Anilinoacrylaldehyde anil;58467-92-8;N-[(1E,3E)-3-(Phenylimino)-1-propenyl]aniline;N-[(1E,3E)-3-(phenylimino)prop-1-en-1-yl]aniline;NSC84845;N,N'-Diphenylethanediimine;SCHEMBL47043;SCHEMBL136513;N-(3-Anilinoallylidene)aniline;SCHEMBL1405654;DTXSID70892075;MFCD00051805;NSC-84845;STK396597;AKOS005088505;3L-381S;BP-24002;BP-24440;(2E,4Z)-1,5-Diphenyl-1,5-diaza-2,4-pentadiene;N,N'-(1E,3E)-prop-1-en-1-yl-3-ylidenedianiline;N-[(1E,3E)-3-(Phenylimino)-1-propenyl]aniline #;[N(E)]-N-[(2E)-3-(Phenylamino)-2-propen-1-ylidene]benzenamine

Chemical Property of N-(3-(Phenylamino)allylidene)aniline

Chemical Property:

• Vapor Pressure: 2.01E-05mmHg at 25°C
• Melting Point: 111-113oC
• Boiling Point: 361.9°Cat760mmHg
• PKA: 2.35±0.50(Predicted)
• Flash Point: 172.7°C
• PSA: 24.39000
• Density: 0.98g/cm³
• LogP: 4.08770
• Water Solubility.: Insoluble in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 222.115698455
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

N-(3-(PHENYLIMINO)PROPENYL)ANILINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC=CC=NC2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)N/C=C/C=NC2=CC=CC=C2

Technology Process of N-(3-(Phenylamino)allylidene)aniline

There total 13 articles about N-(3-(Phenylamino)allylidene)aniline 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: 50.0%

malonaldehydebis(dimethylacetal) (102-52-3) + aniline (62-53-3) → 1-anilino-3-phenyliminopropene (4485-89-6)

Guidance literature:

With hydrogenchloride; water; In ethanol; at 0 - 20 ℃; for 1.25h;

Reference yield:

N,N’-diphenyl-1,5-diazapenta-1,3-dienium perchlorate (2581-87-5) → 1-anilino-3-phenyliminopropene (4485-89-6)

Guidance literature:

With potassium hydroxide; In methanol;

Reference yield:

ethyl 2-formyl-3-oxopropanoate (80370-42-9) → 1-anilino-3-phenyliminopropene (4485-89-6)

Guidance literature:

With sodium hydroxide; anschliessend Behandeln mit Essigsaeure und Anilin;

upstream raw materials:

1,1-diethoxypropane

aniline hydrochloride

ethyl 2-formyl-3-oxopropanoate

Propargylic aldehyde

Downstream raw materials:

2,4'-diaminodiphenylmethane

4-(o-Aminobenzyl)-diphenylamin

methyl 5-[allyl(methyl)amino]-2-(phenylsulphonyl)penta-2,4-dienoate

1,3,3-trimethyl-2-((1E,3E,5E)-5-(1,3,3-trimethylindolin-2-ylidene)-penta-1,3-dien-1-yl)-3H-indol-1-ium iodide

Refernces

• 1、 McNab, Hamish,Murray, M. Elizabeth-Ann. "Thermolysis of Polyazapentadienes. Part 6. Gas-phase Cyclisation of 1,5-Diaryl-1,5-diazapentadienes: Mechanistic Aspects and some Synthetic Applications". . p. 1565 - 1568. Retrieved 2007/10/02.