4-(3-Bromopropyl)phenol

Base Information

• Chemical Name: 4-(3-Bromopropyl)phenol
• CAS No.: 52273-55-9
• Molecular Formula: C9H11BrO
• Molecular Weight: 215.09
• European Community (EC) Number: 891-589-0
• DSSTox Substance ID: DTXSID10564360
• Nikkaji Number: J1.121.661G
• Wikidata: Q82449051
• Mol file: 52273-55-9.mol

Synonyms:4-(3-Bromopropyl)phenol;52273-55-9;Phenol, 4-(3-bromopropyl)-;4-(3-bromo-propyl)-phenol;4-(3'-bromopropyl)phenol;SCHEMBL1428981;DTXSID10564360;SIJRSDOJOBGBJP-UHFFFAOYSA-N;3-(4-hydroxyphenyl)-1-bromopropane;1-(4'-hydroxyphenyl)-3-bromopropane;AKOS017553758;EN300-674721;G53456

Chemical Property of 4-(3-Bromopropyl)phenol

Chemical Property:

• PSA: 20.23000
• LogP: 2.71970
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 213.99933
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

99% ^*data from raw suppliers

4-(3-BROMOPROPYL)PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCBr)O

Technology Process of 4-(3-Bromopropyl)phenol

There total 9 articles about 4-(3-Bromopropyl)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: 96.0%

3-(4-hydroxyphenyl)propan-1-ol (10210-17-0) → 4-(3-bromopropyl)phenol (52273-55-9)

Guidance literature:

With hydrogen bromide; at 80 ℃; for 20h;

Reference yield: 91.0%

4-(3-hydroxypropyl)-2,6-di-tert-butylphenol (36294-23-2) → 4-(3-bromopropyl)phenol (52273-55-9)

Guidance literature:

With hydrogen bromide;

DOI:10.1007/s11172-007-0172-3

Reference yield:

3-(4-hydroxyphenyl)propionic acid methyl ester (5597-50-2) → 4-(3-bromopropyl)phenol (52273-55-9)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere

2: phosphorus tribromide / dichloromethane / 1 h / 0 °C / Inert atmosphere

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

upstream raw materials:

3-(4-hydroxyphenyl)propan-1-ol

3-(4-methoxyphenyl)propyl bromide

3-(4-methoxyphenyl)propanoic acid

3-(p-methoxyphenyl)-1-propanol

Downstream raw materials:

1-[3-(4-hydroxy-phenyl)-propyl]-piperidin-4-ol

4-(3-bromopropyl)-2-cyclohexylphenol

Refernces

Acid/base controllable molecular recognition

10.1002/chem.201101266

The study presents the design, synthesis, and characterization of a tetrathiafulvalene-calix[4]pyrrole receptor, which can be controlled by external acid/base inputs to regulate its molecular recognition of guest molecules. The receptor, named ouroboros due to its self-complexation property, is composed of three identical tetrathiafulvalene (TTF) units and a fourth TTF unit appended with a phenol moiety. The phenol group allows for the receptor to switch between a locked (ouroboros) and unlocked state through deprotonation/protonation, thereby controlling the binding and release of guest molecules like 1,3,5-trinitrobenzene (TNB). The chemicals used in the study include tetrathiafulvalene derivatives, phenol, and various reagents for synthesis such as CsOH·H2O, 4-(3-bromopropyl)phenol, NaOMe, and tetrabutylammonium chloride (TBACl). These chemicals served the purpose of constructing and modifying the receptor molecule, as well as studying its interactions with TNB guests through absorption and 1H NMR spectroscopy, which revealed the receptor's ability to switch conformations and control guest binding based on pH changes.

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