2-Bromo-4-propylphenol

Base Information

• Chemical Name: 2-Bromo-4-propylphenol
• CAS No.: 64080-16-6
• Molecular Formula: C9H11BrO
• Molecular Weight: 215.09
• DSSTox Substance ID: DTXSID101312730
• Nikkaji Number: J1.434.044K
• Mol file: 64080-16-6.mol

Synonyms:64080-16-6;2-bromo-4-propylphenol;2-bromo-4-n-propylphenol;Phenol, 2-bromo-4-propyl-;SCHEMBL3699399;UFUBQDNODUUQTD-UHFFFAOYSA-N;DTXSID101312730

Chemical Property of 2-Bromo-4-propylphenol

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 213.99933
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=CC(=C(C=C1)O)Br

Technology Process of 2-Bromo-4-propylphenol

There total 1 articles about 2-Bromo-4-propylphenol 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: 82.0%

4-n-Propylphenol (645-56-7) → 2-bromo-4-propylphenol (64080-16-6)

Guidance literature:

With bromine; sodium hydrogencarbonate; In chloroform; at 0 ℃;

DOI:10.1016/j.bmc.2014.10.027

Reference yield: 89.0%

2-bromo-4-propylphenol (64080-16-6) + methyl iodide (74-88-4) → 2-bromo-1-methoxy-4-propylbenzene (101538-30-1)

Guidance literature:

With benzyl tri-n-butylammonium bromide; sodium hydroxide; In dichloromethane; water; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2014.10.027

Reference yield: 77.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-bromo-4-propylphenol (64080-16-6) + α-bromoacetophenone (70-11-1) → phenyl(5-propylbenzofuran-2-yl)methanone

Guidance literature:

With dichloro(1,5-cyclooctadiene)palladium(II); 2-(diphenylphosphino)pyridine; potassium carbonate; In dimethyl sulfoxide; at 140 ℃; for 24h; Sealed tube;

DOI:10.1039/c6ob00198j

upstream raw materials:

4-n-Propylphenol

Downstream raw materials:

4-n-propyl-2-((trimethylsilyl)ethynyl)phenyl acetate

2-ethynyl-4-n-propylphenol

2-ethynyl-4-n-propylphenyl acetate

2-(1-allyl-1H-1,2,3-triazol-4-yl)-4-n-propylphenyl acetate

Refernces

• 1、 -. "Ether compound and pharmaceutical application thereof in prevention and treatment of diabetes and metabolic syndrome". Paragraph 0225-0226; 0277-0278. . Retrieved 2021/07/24.
• 2、 Fuchs, Alexander,Baur, Roland,Schoeder, Clara,Sigel, Erwin,Müller, Christa E.. "Structural analogues of the natural products magnolol and honokiol as potent allosteric potentiators of GABAA receptors". supporting information. p. 6908 - 6917. Retrieved 2015/02/02.