Phenol, 4-(3-bromopropyl)-2,6-bis(1,1-dimethylethyl)-

Base Information

• Chemical Name: Phenol, 4-(3-bromopropyl)-2,6-bis(1,1-dimethylethyl)-
• CAS No.: 93543-10-3
• Molecular Formula: C17H27BrO
• Molecular Weight: 327.305
• DSSTox Substance ID: DTXSID60365526
• Wikidata: Q82150270
• Mol file: 93543-10-3.mol

Synonyms:4-(3-bromopropyl)-2,6-di-t-butylphenol;93543-10-3;Phenol, 4-(3-bromopropyl)-2,6-bis(1,1-dimethylethyl)-;4-(3-bromopropyl)-2,6-di-tert-butylphenol;SCHEMBL8777951;DTXSID60365526;HQGSMOOSZBPPGH-UHFFFAOYSA-N;STK526000;AKOS005459267

Chemical Property of Phenol, 4-(3-bromopropyl)-2,6-bis(1,1-dimethylethyl)-

Chemical Property:

• PSA: 20.23000
• LogP: 5.31470
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 326.12453
• Heavy Atom Count: 19
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCBr

Technology Process of Phenol, 4-(3-bromopropyl)-2,6-bis(1,1-dimethylethyl)-

There total 3 articles about Phenol, 4-(3-bromopropyl)-2,6-bis(1,1-dimethylethyl)- 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:

4-(3-hydroxypropyl)-2,6-di-tert-butylphenol (36294-23-2) → 4-(3-bromopropyl)-2,6-di-t-butylphenol (93543-10-3)

Guidance literature:

With pyridine; phosphorus tribromide;

DOI:10.1016/S0960-894X(01)00716-8

Reference yield:

4-hydroxy-3,5-di-tert-butylphenylpropionic acid (20170-32-5,90804-34-5) → 4-(3-bromopropyl)-2,6-di-t-butylphenol (93543-10-3)

Guidance literature:

Multi-step reaction with 2 steps

1: LAH / tetrahydrofuran

2: PBr₃; Pyr

With pyridine; lithium aluminium tetrahydride; phosphorus tribromide; In tetrahydrofuran;

DOI:10.1016/S0960-894X(01)00716-8

Reference yield:

→ 4-(3-bromopropyl)-2,6-di-t-butylphenol (93543-10-3)

Guidance literature:

Toluol-4-sulfonsaeure-<3-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propylester> m. LiBr in sd. Acn.;

upstream raw materials:

4-(3-hydroxypropyl)-2,6-di-tert-butylphenol

4-hydroxy-3,5-di-tert-butylphenylpropionic acid

Downstream raw materials:

4-[3-(4-amino-phenoxy)-propyl]-2,6-di-tert-butyl-phenol

C₂₅H₃₁NO₃