N-benzyl-4-methylquinolin-2-amine

Base Information

• Chemical Name: N-benzyl-4-methylquinolin-2-amine
• CAS No.: 81102-84-3
• Molecular Formula: C17H16 N2
• Molecular Weight: 248.3223
• NSC Number: 118930
• DSSTox Substance ID: DTXSID201001782
• Wikidata: Q82995789
• ChEMBL ID: CHEMBL1386638
• Mol file: 81102-84-3.mol

Synonyms:N-benzyl-4-methylquinolin-2-amine;81102-84-3;NSC118930;Benzyl-(4-methyl-quinolin-2-yl)-amine;Cambridge id 5551812;Oprea1_521157;Oprea1_727843;MLS000526903;CHEMBL1386638;DTXSID201001782;HMS2171O07;HMS3311C13;STK389039;AKOS000431378;NSC-118930;N-Benzyl-4-methylquinolin-2(1H)-imine;SMR000117377;4-methyl-N-(phenylmethyl)quinolin-2-amine;AB00088686-01;AG-690/10767028

Chemical Property of N-benzyl-4-methylquinolin-2-amine

Chemical Property:

• Vapor Pressure: 3.13E-07mmHg at 25°C
• Boiling Point: 419.1°C at 760 mmHg
• Flash Point: 207.2°C
• Density: 1.164g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 248.131348519
• Heavy Atom Count: 19
• Complexity: 272

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC2=CC=CC=C12)NCC3=CC=CC=C3

Technology Process of N-benzyl-4-methylquinolin-2-amine

There total 9 articles about N-benzyl-4-methylquinolin-2-amine 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: 85.0%

N-benzyl-N'-2-isopropenylphenylthiourea (169692-16-4) → N-benzyl-4-methylquinolin-2-amine (81102-84-3)

Guidance literature:

With mercury(II) oxide; In dichloromethane; for 24h;

Reference yield: 82.0%

4-(benzylamino)-4-(phenylamino)but-3-en-2-one → 4-methylquinolin-2-amine (27063-27-0) + N-benzyl-4-methylquinolin-2-amine (81102-84-3)

Guidance literature:

With polyphosphoric acid; In toluene; at 90 ℃; for 4h; Inert atmosphere;

DOI:10.1002/chem.201406317

Reference yield: 46.0%

2-isopropenylaniline (52562-19-3) + Benzyl isothiocyanate (622-78-6) → N-benzyl-4-methylquinolin-2-amine (81102-84-3)

Guidance literature:

With potassium phosphate; In 1,4-dioxane; at 100 ℃; for 12h; chemoselective reaction;

DOI:10.1039/c8cc00062j

upstream raw materials:

4-methylquinolin-2-amine

2-chloro-4-methylquinoline

benzylamine

N-benzyl-N'-2-isopropenylphenylthiourea