2-(Phenyl(phenylamino)methyl)cyclohexanone

Base Information

• Chemical Name: 2-(Phenyl(phenylamino)methyl)cyclohexanone
• CAS No.: 737-47-3
• Molecular Formula: C19H21NO
• Molecular Weight: 279.382
• Hs Code.: 2922399090
• NSC Number: 123043
• DSSTox Substance ID: DTXSID40298424
• Nikkaji Number: J817.312E
• Mol file: 737-47-3.mol

Synonyms:2-(Phenyl(phenylamino)methyl)cyclohexanone;737-47-3;2-[anilino(phenyl)methyl]cyclohexan-1-one;2-[PHENYL(PHENYLAMINO)METHYL]CYCLOHEXAN-1-ONE;2-[phenyl(phenylamino)methyl]cyclohexanone;2-(phenyl(phenylamino)methyl)cyclohexan-1-one;2-(a-Anilinobenzyl)-1-cyclohexanone;Cyclohexanone, 2-(a-anilinobenzyl)-;NSC123043;Oprea1_112208;Oprea1_743507;SCHEMBL16375340;DTXSID40298424;ITYLIHBJQIGSFJ-UHFFFAOYSA-N;Cyclohexanone,2-(a-anilinobenzyl);Cyclohexanone,2-(a-anilinobenzyl)-;MFCD00488518;STK710047;AKOS003598526;AKOS016842968;EP-0078;NSC-123043;2-[Anilino(phenyl)methyl]cyclohexanone #;Cyclohexanone, 2-(.alpha.-anilinobenzyl)-;CS-0156518;D81848

Chemical Property of 2-(Phenyl(phenylamino)methyl)cyclohexanone

Chemical Property:

• Vapor Pressure: 5.76E-08mmHg at 25°C
• Melting Point: 114-115 °C
• Refractive Index: 1.618
• Boiling Point: 440.7 °C at 760 mmHg
• Flash Point: 154 °C
• PSA: 29.10000
• Density: 1.136 g/cm³
• LogP: 4.67210
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 279.162314293
• Heavy Atom Count: 21
• Complexity: 329

Purity/Quality:

99%, ^*data from raw suppliers

2-(Phenyl(phenylamino)methyl)cyclohexanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)C(C2=CC=CC=C2)NC3=CC=CC=C3

Technology Process of 2-(Phenyl(phenylamino)methyl)cyclohexanone

There total 14 articles about 2-(Phenyl(phenylamino)methyl)cyclohexanone 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: 100.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + benzylidene phenylamine (538-51-2) → 2-(phenyl(phenylamino)methyl)cyclohexanone (737-47-3)

Guidance literature:

sodium tetrakis(3,5-trifluoromethylphenyl)borate; In water; at 30 ℃; for 3h;

DOI:10.1016/j.tetlet.2006.10.125

Reference yield: 99.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + benzaldehyde (100-52-7) + aniline (62-53-3) → 2-(phenyl(phenylamino)methyl)cyclohexanone (737-47-3)

Guidance literature:

With C₆H₁₁N(CH₂C₆H₄)2BiOSO₂C₈F₁₇; In water; at 25 ℃; for 15h;

DOI:10.1016/j.jorganchem.2009.07.018

Reference yield: 94.0%

1-(Trimethylsilyloxy)cyclohexene (6651-36-1) + benzaldehyde (100-52-7) + aniline (62-53-3) → 2-(phenyl(phenylamino)methyl)cyclohexanone (737-47-3)

Guidance literature:

With 1-butyl-3-decylimidazolium hexafluorantimonate; scandium tris(trifluoromethanesulfonate); In water; at 30 ℃; for 20h;

DOI:10.1002/anie.200603070

upstream raw materials:

cyclohexanone

benzaldehyde

1-(Trimethylsilyloxy)cyclohexene

(E)-N-benzylidenebenzenamine

Downstream raw materials:

2-(α-Anilinobenzyl)-1-cyclohexanol

2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

2-Chloro-3,4-diphenyl-5,6-tetramethylenetetrahydro-1,3,2-oxazaphosphorin-2-oxide

(E)-2-benzylidenecyclohexanone

Refernces

• 1、 Mozafari, Roya,Heidarizadeh, Fariba,Azaroon, Maedeh. "Designing a novel tetradentate polyoxometalate eco-catalyst for the synthesis of β-aminocyclohexanone derivatives in water". . p. 40261 - 40266. Retrieved 2019/01/03.
• 2、 Kooti,Kooshki,Nasiri,Sedeh, A. Naghdi. "H3PW12O40 anchored on graphene-grafted silica-coated MnFe2O4 as magnetic catalyst for Mannich reaction". . p. 943 - 953. Retrieved 2018/03/01.