3-(4-Bromophenyl)prop-2-en1-ol

Base Information

• Chemical Name: 3-(4-Bromophenyl)prop-2-en1-ol
• CAS No.: 105515-33-1
• Molecular Formula: C9H9BrO
• Molecular Weight: 213.074
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID30694259
• Mol file: 105515-33-1.mol

Synonyms:DTXSID30694259;DLEIRQMIYDUVBY-UHFFFAOYSA-N;3-(4-Bromophenyl)prop-2-en1-ol;3-(4-Bromophenyl)prop-2-ene 1-ol;AKOS017559060

Chemical Property of 3-(4-Bromophenyl)prop-2-en1-ol

Chemical Property:

• Melting Point: 68-70°
• PSA: 20.23000
• LogP: 2.45460
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Bromophenyl)-2-propen-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CCO)Br
• Uses: 3-(4-Bromophenyl)-2-propen-1-ol (cas# 105515-33-1) is a useful reagent for the preparation of aryltetralin cyclic ether lignans.

Technology Process of 3-(4-Bromophenyl)prop-2-en1-ol

There total 37 articles about 3-(4-Bromophenyl)prop-2-en1-ol 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: 99.0%

methyl (E)-4-bromocinnamate (3650-78-0,84878-00-2,71205-17-9) → (2E)-3-(4-bromophenyl)prop-2-en-1-ol (105515-33-1)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; at -78 - 0 ℃;

Reference yield: 99.0%

methyl 4-bromocinnamate (3650-78-0,71205-17-9,84878-00-2) → 3-(4-bromophenyl)prop-2-en-1-ol (105515-33-1,130265-32-6)

Guidance literature:

methyl 4-bromocinnamate; With diisobutylaluminium hydride; In hexane; toluene; at 20 ℃;

With hydrogenchloride; water; In hexane; toluene;

DOI:10.1080/00397910903533991

Reference yield: 99.0%

4-bromocinnamyl acetate (204326-54-5) → (2E)-3-(4-bromophenyl)prop-2-en-1-ol (105515-33-1)

Guidance literature:

With potassium hydroxide; In methanol; water; at 40 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c5ob00235d

upstream raw materials:

ethyl (E)-3-(4-bromophenyl)-2-propenoate

1-(p-bromophenyl)prop-2-en-1-ol

ethyl 4-bromocinnamate

methyl (E)-4-bromocinnamate

Downstream raw materials:

1-(4-bromophenyl)-1-propen-3-yl bromide

[(2S,3S)-3-(4-bromophenyl)oxiran-2-yl]methanol

2,2-Dimethyl-propionic acid (E)-3-(4-bromo-phenyl)-allyl ester

(E)-1-(3-(benzyloxy)prop-1-en-1-yl)-4-bromobenzene