2-Allyl-4-bromophenol

Base Information

• Chemical Name: 2-Allyl-4-bromophenol
• CAS No.: 13997-74-5
• Molecular Formula: C9H9BrO
• Molecular Weight: 213.074
• Hs Code.: 2908199090
• NSC Number: 87385
• DSSTox Substance ID: DTXSID90293146
• Nikkaji Number: J2.222.658D
• Wikidata: Q82031768
• Mol file: 13997-74-5.mol

Synonyms:2-ALLYL-4-BROMOPHENOL;13997-74-5;4-bromo-2-(prop-2-en-1-yl)phenol;4-bromo-2-prop-2-enylphenol;Phenol, 4-bromo-2-(2-propen-1-yl)-;NSC87385;SCHEMBL547469;DTXSID90293146;SWBCZCKHMGPYIP-UHFFFAOYSA-N;MFCD00297344;NSC-87385;AKOS005173904;BB 0259271;CS-0528691

Chemical Property of 2-Allyl-4-bromophenol

Chemical Property:

• Vapor Pressure: 0.00345mmHg at 25°C
• Boiling Point: 273.3°C at 760 mmHg
• Flash Point: 119.1°C
• PSA: 20.23000
• Density: 1.435g/cm³
• LogP: 2.88320
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

2-Allyl-4-bromophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Allyl-4-bromophenol

There total 9 articles about 2-Allyl-4-bromophenol 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: 92.0%

4-(allyloxy)bromobenzene (25244-30-8) → 2-allyl-4-bromophenol (13997-74-5)

Guidance literature:

at 200 ℃; for 3h;

DOI:10.1021/acschembio.0c00146

Reference yield: 83.0%

4-bromo-phenol (106-41-2) + allyl bromide (106-95-6) → 2-allyl-4-bromophenol (13997-74-5)

Guidance literature:

4-bromo-phenol; allyl bromide; With potassium carbonate; In acetone; for 4h; Heating;

at 200 ℃; for 1.5h;

DOI:10.3987/com-99-8754

Reference yield: 13.0%

o-Allylphenol (1745-81-9) → 2-allyl-4,6-dibromophenol (84492-02-4) + 2-allyl-4-bromophenol (13997-74-5)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In tetrahydrofuran; for 2h; substrate/reagent molecular ratio = 1/0.5;

DOI:10.1016/S0040-4039(97)00943-X

upstream raw materials:

diphenylether

4-(allyloxy)bromobenzene

ethoxyethoxyethanol

o-Allylphenol

Downstream raw materials:

5-bromo-2-methyl-2,3-dihydro-1-benzofuran

4-bromo-2-propylphenol

acetic acid-(2-allyl-4-bromo-phenyl ester)

2-allyl-4-bromo-1-methoxybenzene