4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline

Base Information

• Chemical Name: 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline
• CAS No.: 129075-89-4
• Molecular Formula: C13H12 N4
• Molecular Weight: 224.265
• Hs Code.: 2933990090
• European Community (EC) Number: 631-390-6
• DSSTox Substance ID: DTXSID00377441
• Wikidata: Q82166656
• Mol file: 129075-89-4.mol

Synonyms:129075-89-4;4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline;4-(1H-1,2,3-benzotriazol-1-ylmethyl)phenylamine;4-(benzotriazol-1-ylmethyl)aniline;Benzenamine, 4-(1H-benzotriazol-1-ylmethyl)-;4-[(1H-1,2,3-benzotriazol-1-yl)methyl]aniline;DTXSID00377441;4-(benzotriazol-1-yl-methyl)aniline;MFCD00960990;AKOS005071258;4-[(1H-Benzotriazol-1-yl)methyl]aniline;CS-0444431;FT-0643104;8T-0253;4-(10-ACRYLOYLOXY-DECYL-1-OXY)BENZOIC ACID;J-513136

Chemical Property of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline

Chemical Property:

• Vapor Pressure: 4.78E-09mmHg at 25°C
• Melting Point: 140-143oC
• Boiling Point: 471.1°Cat760mmHg
• PKA: 4.43±0.10(Predicted)
• Flash Point: 238.7°C
• PSA: 56.73000
• Density: 1.29g/cm³
• LogP: 2.64300
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 224.106196400
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

4-[(1H-1,2,3-Benzotriazol-1-yl)methyl]aniline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)N

Technology Process of 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)aniline

There total 4 articles about 4-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)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: 60.0%

1-Hydroxymethyl-1H-benzotriazole (28539-02-8) + aniline hydrochloride (142-04-1,36663-09-9) → 4-[(benzotriazol-1-yl)methyl]phenylamine (129075-89-4)

Guidance literature:

In acetic acid; for 0.25h; Heating;

DOI:10.1055/s-1990-26873

Reference yield: 59.0%

N-phenyl-1H-benzotriazolyl-1-methanamine (62001-29-0) → 4-[(benzotriazol-1-yl)methyl]phenylamine (129075-89-4)

Guidance literature:

With hydrogenchloride; In methanol; water; for 4h; Mechanism; Heating; other N-(benzotriazol-1-ylmethyl)anilines;

DOI:10.1055/s-1990-26873

Reference yield: 4.0%

1-(4-azidophenylmethyl)-1H-benzotriazole (1219081-19-2) + allyl bromide (106-95-6) → 1-[{(4-azidophenyl)(allyl)}methyl]-1H-benzotriazole (1219081-62-5) + 4-[(benzotriazol-1-yl)methyl]phenylamine (129075-89-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h;

DOI:10.1002/jhet.275

upstream raw materials:

1-Hydroxymethyl-1H-benzotriazole

aniline hydrochloride

N-phenyl-1H-benzotriazolyl-1-methanamine

1-(4-azidophenylmethyl)-1H-benzotriazole

Downstream raw materials:

(4-amino-phenyl)-(4-dimethylamino-phenyl)-methane

2-(benzotriazol-1-yl)-2-(4-aminophenyl)-1-phenylethane

2-((4-Aminophenyl)methyl)-1,5-dimethoxybenzene

N-Methyl-4,4'-methylenedianiline