[(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride

Base Information

• Chemical Name: [(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride
• CAS No.: 111198-09-5
• Molecular Formula: C₂₅H₂₁N₃P*Cl
• Molecular Weight: 429.889
• European Community (EC) Number: 807-951-8
• Mol file: 111198-09-5.mol

Synonyms:[(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride;111198-09-5;benzotriazol-1-ylmethyl(triphenyl)phosphanium;chloride;((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)triphenylphosphonium chloride;SCHEMBL20943272;MFCD00960175;B4486;CS-0435269;D89085;[(1H-Benzotriazol-1-yl)methyl]triphenylphosphoniumChloride

Chemical Property of [(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride

Chemical Property:

• Melting Point: 279 °C(dec.)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 429.1161624
• Heavy Atom Count: 30
• Complexity: 463

Purity/Quality:

99.8%,specific surface area（BET）:380m2/g;particle size :7-40nm ^*data from raw suppliers

[(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[P+](CN2C3=CC=CC=C3N=N2)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Technology Process of [(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride

There total 3 articles about [(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride 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: 23.0%

1-(chloromethyl)-1H-benzotriazole (54187-96-1) + triphenylphosphine (603-35-0) → [(benzotriazol-1-yl)-methyl]triphenyl phosphonium chloride (111198-09-5)

Guidance literature:

In tetrahydrofuran; at 50 ℃; for 96h;

Reference yield:

1,2,3-Benzotriazole (95-14-7,27556-51-0) → [(benzotriazol-1-yl)-methyl]triphenyl phosphonium chloride (111198-09-5)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid / Ambient temperature

2: SOCl₂ / Heating

3: toluene / 48 h / Heating

With thionyl chloride; In acetic acid; toluene;

Reference yield:

1-Hydroxymethyl-1H-benzotriazole (28539-02-8) → [(benzotriazol-1-yl)-methyl]triphenyl phosphonium chloride (111198-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / Heating

2: toluene / 48 h / Heating

With thionyl chloride; In toluene;

upstream raw materials:

1-(chloromethyl)-1H-benzotriazole

triphenylphosphine

1,2,3-Benzotriazole

1-Hydroxymethyl-1H-benzotriazole

Downstream raw materials:

1-<(E)-2-(4-methylphenyl)ethenyl>-1H-1,2,3-benzotriazole

1-[(Triphenyl-λ⁵-phosphanylidene)-methyl]-1H-benzotriazole

1-styryl-benzotriazole

1-(4-phenyl-1-butenyl)-1H-1,2,3-benzotriazole