(3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide

Base Information

• Chemical Name: (3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide
• CAS No.: 62546-89-8
• Molecular Formula: C33H38OP+
• Molecular Weight: 481.6274
• European Community (EC) Number: 636-375-8
• NSC Number: 157371
• ChEMBL ID: CHEMBL3229247
• Mol file: 62546-89-8.mol

Synonyms:62546-89-8;(3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide;SCHEMBL3240925;CHEMBL3229247;NSC157371;AKOS024430192;NSC-157371;(3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphoniumbromide;Phosphonium,5-di-tert-butyl-4-hydroxybenzyl)triphenyl-, bromide;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-triphenylphosphanium;bromide;P(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(c2ccccc2)(c3ccccc3)c4ccccc4

Chemical Property of (3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 560.18437
• Heavy Atom Count: 36
• Complexity: 569

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Technology Process of (3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide

There total 3 articles about (3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide 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: 95.0%

4-(bromomethyl)-2,6-di-tert-butylphenol (2091-51-2) + triphenylphosphine (603-35-0) → (3,5-di-tert-butyl-4-hydroxybenzyl)triphenylphosphoniumbromide (62546-89-8)

Guidance literature:

In diethyl ether; at 20 ℃;

DOI:10.1134/S1070428012120160

Reference yield:

2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → (3,5-di-tert-butyl-4-hydroxybenzyl)triphenylphosphoniumbromide (62546-89-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide

2: diethyl ether / 20 °C

With N-Bromosuccinimide; In diethyl ether;

DOI:10.1134/S1070428012120160

Reference yield:

→ (3,5-di-tert-butyl-4-hydroxybenzyl)triphenylphosphoniumbromide (62546-89-8)

Guidance literature:

entspr. Benzylbromid III u. Phosphin;

upstream raw materials:

4-(bromomethyl)-2,6-di-tert-butylphenol

triphenylphosphine

2,6-di-tert-butyl-4-methyl-phenol

Downstream raw materials:

C₃₃H₃₈OP⁽¹⁺⁾*NO₃^(1-)