2-Bromo-5-(2-methyloctan-2-YL)phenol

Base Information

• Chemical Name: 2-Bromo-5-(2-methyloctan-2-YL)phenol
• CAS No.: 70120-14-8
• Molecular Formula: C15H23BrO
• Molecular Weight: 299.251
• DSSTox Substance ID: DTXSID70509873
• Wikidata: Q82367784
• Mol file: 70120-14-8.mol

Synonyms:70120-14-8;2-BROMO-5-(2-METHYLOCTAN-2-YL)PHENOL;2-Bromo-5-(1,1-dimethylheptyl)phenol;Phenol, 2-bromo-5-(1,1-dimethylheptyl)-;starbld0030797;SCHEMBL4888798;DTXSID70509873;HUDFTWYCPXXWIH-UHFFFAOYSA-N;AKOS030240539;3-(1,1-Dimethylheptyl)-6-bromophenol;2-(4-Bromo-3-hydroxyphenyl)-2-methyloctane;2-(4-bromo-3-hydroxyphenyl)-2-methyl-octane

Chemical Property of 2-Bromo-5-(2-methyloctan-2-YL)phenol

Chemical Property:

• PSA: 20.23000
• LogP: 5.40270
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 298.09323
• Heavy Atom Count: 17
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-5-(1,1-dimethylheptyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)Br)O
• Uses: Intermediate in the synthesis of a cannabinoid receptor ligand.

Technology Process of 2-Bromo-5-(2-methyloctan-2-YL)phenol

There total 7 articles about 2-Bromo-5-(2-methyloctan-2-YL)phenol 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%

2-(3-hydroxyphenyl)-2-methyloctane (70120-12-6) → 2-(4-bromo-3-hydroxyphenyl)-2-methyloctane (70120-14-8)

Guidance literature:

With bromine; In tetrachloromethane; at 30 ℃; for 0.25h;

DOI:10.1021/jm00367a013

Reference yield:

2-<3-(benzyloxy)phenyl>-2-methylpropionitrile (70120-08-0) → 2-(4-bromo-3-hydroxyphenyl)-2-methyloctane (70120-14-8)

Guidance literature:

Multi-step reaction with 4 steps

1: DIBAL-H; aq. H₂SO₄

2: NaH / dimethylsulfoxide

3: H₂ / Pd/C

4: Br₂ / CCl₄

With sulfuric acid; hydrogen; bromine; sodium hydride; diisobutylaluminium hydride; palladium on activated charcoal; In tetrachloromethane; dimethyl sulfoxide; 2: Wittig reaction;

DOI:10.1016/j.bmcl.2007.04.059

Reference yield:

pentyltriphenylphosphonium bromide (21406-61-1) → 2-(4-bromo-3-hydroxyphenyl)-2-methyloctane (70120-14-8)

Guidance literature:

Multi-step reaction with 3 steps

1: NaH / dimethylsulfoxide

2: H₂ / Pd/C

3: Br₂ / CCl₄

With hydrogen; bromine; sodium hydride; palladium on activated charcoal; In tetrachloromethane; dimethyl sulfoxide; 1: Wittig reaction;

DOI:10.1016/j.bmcl.2007.04.059

upstream raw materials:

2-(3-hydroxyphenyl)-2-methyloctane

2-(3-benzyloxyphenyl)-2-methylpropionaldehyde

2-<3-(benzyloxy)phenyl>-2-methylpropionitrile

1-Benzyloxy-3-(1,1-dimethyl-2-heptenyl)-benzol

Downstream raw materials:

VSN₂₈

VSN₂₇

VSN₁₃

VSN₃₀