alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine

Base Information

• Chemical Name: alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine
• CAS No.: 122062-68-4
• Molecular Formula: C14H14 N4
• Molecular Weight: 238.292
• Hs Code.: 2933990090
• European Community (EC) Number: 623-246-6
• DSSTox Substance ID: DTXSID30392602
• Nikkaji Number: J673.897D
• Mol file: 122062-68-4.mol

Synonyms:122062-68-4;alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine;N-[1-(benzotriazol-1-yl)ethyl]aniline;N-(1-(1H-Benzo[d][1,2,3]triazol-1-yl)ethyl)aniline;1H-Benzotriazole-1-methanamine, alpha-methyl-N-phenyl-;SCHEMBL1081183;DTXSID30392602;HLIOCSMHAVCKMV-UHFFFAOYSA-N;AKOS022180501;N-[1-(1H-Benzotriazol-1-yl)ethyl]aniline;a-Methyl-N-phenyl-1H-benzotriazole-1-methanamine;J-004755;N-[1-(1H-1,2,3-benzotriazol-1-yl)ethyl]aniline;alpha -Methyl-N-phenyl-1H-benzotriazole-1-methanamine;alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine, 97%

Chemical Property of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine

Chemical Property:

• Vapor Pressure: 3.97E-08mmHg at 25°C
• Melting Point: 128-131 °C(lit.)
• Refractive Index: 1.657
• Boiling Point: 445.4°C at 760 mmHg
• Flash Point: 223.2°C
• PSA: 42.74000
• Density: 1.21g/cm³
• LogP: 3.13490
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 238.121846464
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

98%min ^*data from raw suppliers

ALPHA-METHYL-N-PHENYL-1H-BENZOTRIAZOLE-1-METHANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(NC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Technology Process of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine

There total 2 articles about alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine 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:

1,2,3-Benzotriazole (95-14-7,27556-51-0) + acetaldehyde (75-07-0,9002-91-9) + aniline (62-53-3) → α-methyl-N-phenyl-1H-benzotriazole-1-methanamine (122062-68-4)

Guidance literature:

In diethyl ether; at -20 - 0 ℃;

Reference yield:

1,2,3-Benzotriazole (95-14-7,27556-51-0) + acetaldehyde (75-07-0,9002-91-9) + aniline (62-53-3) → α-methyl-N-phenyl-1H-benzotriazole-1-methanamine (122062-68-4) + α-Methyl-N-phenyl-2H-benzotriazole-1-methanamine

Guidance literature:

In diethyl ether; at 22 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00118a014

Reference yield: 82.0%

sodium n-octylsulfanesulfonate (27970-36-1) + α-methyl-N-phenyl-1H-benzotriazole-1-methanamine (122062-68-4) → (1-octylsulfanyl-ethyl)-phenyl-amine

Guidance literature:

With samarium; zinc(II) chloride; In tetrahydrofuran; water; at 20 ℃; for 4h;

DOI:10.1039/a904194j

upstream raw materials:

1,2,3-Benzotriazole

acetaldehyde

aniline

Downstream raw materials:

3-methoxycarbonyl-N-phenylbenzamide

N-phenylphthalimide

N,N'-diphenylphthalamide

(1,2-Dimethyl-2-nitro-propyl)-phenyl-amine

Refernces

• 1、 Katritzky, Alan R.,Rachwal, Bogumila,Rachwal, Stanislaw. "Reactions of N-Alkyl-N-phenyl-1H-benzotriazole-1-methanamines with N-Vinylamides and N-Vinylcarbazole. A Convenient Synthesis of 4-(Dialkylamino)tetrahydroquinolines". . p. 3993 - 4001. Retrieved 2007/10/02.