2-Bromo-4-tert-butylphenol

Base Information

• Chemical Name: 2-Bromo-4-tert-butylphenol
• CAS No.: 2198-66-5
• Molecular Formula: C10H13BrO
• Molecular Weight: 229.117
• Hs Code.: 2908199090
• European Community (EC) Number: 218-602-9
• NSC Number: 2360
• DSSTox Substance ID: DTXSID00176395
• Nikkaji Number: J94.966C
• Wikidata: Q72512645
• ChEMBL ID: CHEMBL2005775
• Mol file: 2198-66-5.mol

Synonyms:2-Bromo-4-tert-butylphenol;2198-66-5;2-Bromo-4-(tert-butyl)phenol;4-tert-Butyl-2-bromophenol;Phenol, 2-bromo-4-(1,1-dimethylethyl)-;2-Bromo-4-tertButylphenol;MFCD02682891;NSC2360;4-t-butyl-2-bromophenol;2-bromo-4-tert-butyl-phenol;2-Bromo-4-tert-butyl phenol;SCHEMBL376840;2-Bromo-4-tert-butylphenol .;CHEMBL2005775;DTXSID00176395;NSC 2360;NSC-2360;EINECS 218-602-9;BBL100346;STL554128;AKOS000319631;CS-W002958;PS-7739;2-Bromo-4-(2-methyl-2-propanyl)phenol;NCI60_001902;SY032407;AI3-17311;AM20060306;B3763;BB 0253758;FT-0660395;EN300-1238562;A815804

Chemical Property of 2-Bromo-4-tert-butylphenol

Chemical Property:

• Vapor Pressure: 0.0179mmHg at 25°C
• Melting Point: 51°C(lit.)
• Refractive Index: 1.547
• Boiling Point: 245.9 °C at 760 mmHg
• PKA: 8.65±0.18(Predicted)
• Flash Point: 102.5 °C
• PSA: 20.23000
• Density: 1.341 g/cm³
• LogP: 3.45220
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.01498
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-4-tert-butylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)O)Br
• Uses: 2-Bromo-4-tert-butylphenol is useful synthetic compound that can be used to prepare 2-?Mesityl-?4-?tert-?butylphenol.

Technology Process of 2-Bromo-4-tert-butylphenol

There total 12 articles about 2-Bromo-4-tert-butylphenol 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: 100.0%

para-tert-butylphenol (98-54-4) → 2-bromo-4-tert-butylphenol (2198-66-5)

Guidance literature:

With bromine;

DOI:10.1021/ja00369a036

Reference yield: 90.0%

para-tert-butylphenol (98-54-4) → 2,6-dibromo-4-tert-butylphenol (98-22-6) + 2-bromo-4-tert-butylphenol (2198-66-5)

Guidance literature:

para-tert-butylphenol; With toluene-4-sulfonic acid; In methanol; for 0.166667h;

With N-Bromosuccinimide; In methanol; for 0.416667h;

DOI:10.3390/molecules21010088

Reference yield: 76.0%

4-tercbutyl-cyclohexanone (98-53-3) → 2-bromo-4-tert-butylphenol (2198-66-5)

Guidance literature:

With diethyl dibromomalonate; at 100 ℃; for 48h;

upstream raw materials:

para-tert-butylphenol

6-Bromo-4-tert-butyl-cyclohexa-2,4-dienone

4-tercbutyl-cyclohexanone

phenol

Downstream raw materials:

4-tert-Butylcatechol

3-bromo-5-tert-butyl-2-hydroxy-benzaldehyde

(2-bromo-4-tert-butyl-phenoxy)-dichloro-phosphine

propionic acid-(2-bromo-4-tert-butyl-phenyl ester)