4-Bromo-2-(3-methylbut-2-en-1-yl)phenol

Base Information

• Chemical Name: 4-Bromo-2-(3-methylbut-2-en-1-yl)phenol
• CAS No.: 151071-00-0
• Molecular Formula: C11H13 Br O
• Molecular Weight: 241.128
• DSSTox Substance ID: DTXSID30471789
• Nikkaji Number: J796.189H
• Mol file: 151071-00-0.mol

Synonyms:151071-00-0;4-bromo-2-(3-methylbut-2-enyl)phenol;4-Bromo-2-(3-methyl-2-butenyl)-phenol;4-Bromo-2-(3-methylbut-2-en-1-yl)phenol;4-Bromo-2-(3-methyl-2-butenyl)phenol;SCHEMBL14139155;DTXSID30471789

Chemical Property of 4-Bromo-2-(3-methylbut-2-en-1-yl)phenol

Chemical Property:

• Boiling Point: 307.0±27.0 °C(Predicted)
• PKA: 9.93±0.18(Predicted)
• PSA: 20.23000
• Density: 1.341±0.06 g/cm3(Predicted)
• LogP: 3.66340
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 240.01498
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

99.0%Min ^*data from raw suppliers

4-BROMO-2-(3-METHYL-2-BUTENYL)-PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C=CC(=C1)Br)O)C

Technology Process of 4-Bromo-2-(3-methylbut-2-en-1-yl)phenol

There total 2 articles about 4-Bromo-2-(3-methylbut-2-en-1-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: 74.0%

4-bromo-phenol (106-41-2) + prenyl bromide (870-63-3) → 4-bromo-2-(3-methylbut-2-en-1-yl)phenol (151071-00-0)

Guidance literature:

4-bromo-phenol; With sodium; In diethyl ether;

prenyl bromide; With zinc dibromide; In dichloromethane;

DOI:10.1016/S0040-4039(99)01930-9

Reference yield: 15.0%

4-bromo-phenol (106-41-2) + 2-methyl-3-buten-2-ol (115-18-4) → 4-bromo-2-(3-methylbut-2-en-1-yl)phenol (151071-00-0) + 1-bromo-4-((3-methylbut-2-en-1-yl)oxy)benzene (204503-25-3)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,4-dioxane; at 20 ℃; for 72h;

DOI:10.1016/S0040-4020(03)00733-6

Reference yield: 95.0%

4-bromo-2-(3-methylbut-2-en-1-yl)phenol (151071-00-0) + dimethyl sulfate (77-78-1) → 4-Bromo-1-methoxy-2-(3-methyl-but-2-enyl)-benzene (187400-01-7)

Guidance literature:

With potassium carbonate; In acetone; for 2h; Heating;

DOI:10.1016/S0040-4039(96)02298-8

upstream raw materials:

4-bromo-phenol

prenyl bromide

2-methyl-3-buten-2-ol

Downstream raw materials:

4-bromo-2-(3-methyl-2-butenyl)phenyl acetate

4-Bromo-1-methoxy-2-(3-methyl-but-2-enyl)-benzene

6-benzoyl-2,2-dimethyl-2H-1-benzopyran