Benzaldehyde, 2-(methylphenylamino)-

Base Information

• Chemical Name: Benzaldehyde, 2-(methylphenylamino)-
• CAS No.: 208664-53-3
• Molecular Formula: C14H13NO
• Molecular Weight: 211.263
• DSSTox Substance ID: DTXSID50443069
• Nikkaji Number: J3.171.522I
• Wikidata: Q82260768
• Mol file: 208664-53-3.mol

Synonyms:Benzaldehyde, 2-(methylphenylamino)-;208664-53-3;SCHEMBL10695407;2-(Methylphenylamino)benzaldehyde;DTXSID50443069;AKOS000260678

Chemical Property of Benzaldehyde, 2-(methylphenylamino)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 211.099714038
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C2=CC=CC=C2C=O

Technology Process of Benzaldehyde, 2-(methylphenylamino)-

There total 15 articles about Benzaldehyde, 2-(methylphenylamino)- 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%

(2-(methyl(phenyl)amino)phenyl)methanol (117296-15-8) → 2-((N-methyl-N-phenyl)amino)benzaldehyde (208664-53-3)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; at 100 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.6b02845

Reference yield: 93.0%

2-((N-phenyl)amino)benzaldehyde (95888-33-8) + methyl iodide (74-88-4) → 2-((N-methyl-N-phenyl)amino)benzaldehyde (208664-53-3)

Guidance literature:

2-((N-phenyl)amino)benzaldehyde; With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Schlenk technique; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; Schlenk technique; Inert atmosphere;

Reference yield: 74.0%

2-iodophenyl 4-chlorobenzenesulfonate (864512-14-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + N-methylaniline (100-61-8) → 2-((N-methyl-N-phenyl)amino)benzaldehyde (208664-53-3)

Guidance literature:

N-methylaniline; With isopropylmagnesium chloride; In tetrahydrofuran; at -20 ℃; for 0.5h;

2-iodophenyl 4-chlorobenzenesulfonate; With isopropylmagnesium chloride; In tetrahydrofuran; at -78 - 0 ℃;

N,N-dimethyl-formamide; In tetrahydrofuran; at -40 - 20 ℃;

DOI:10.1002/anie.200500443

upstream raw materials:

(2-(methyl(phenyl)amino)phenyl)methanol

C₂₁H₂₁N₃O₃S

2-iodophenyl 4-chlorobenzenesulfonate

N,N-dimethyl-formamide

Downstream raw materials:

[2-(methylanilino)phenyl](phenyl)methanole

2-(N-methyl-N-phenylamino)benzaldehyde O-methyloxime

2-(Methyl-phenyl-amino)-benzaldehyde oxime

10-methyl-9, 10-dihydro-9-acridinone