3-(2-Bromo-phenyl)-propan-1-OL

Base Information

• Chemical Name: 3-(2-Bromo-phenyl)-propan-1-OL
• CAS No.: 52221-92-8
• Molecular Formula: C9H11BrO
• Molecular Weight: 215.09
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID10441061
• Nikkaji Number: J1.491.446C
• Wikidata: Q72511192
• Mol file: 52221-92-8.mol

Synonyms:3-(2-BROMO-PHENYL)-PROPAN-1-OL;52221-92-8;3-(2-bromophenyl)propan-1-ol;3-(2-bromophenyl)-1-propanol;Benzenepropanol, 2-bromo-;MFCD09028685;SCHEMBL534245;DTXSID10441061;VODAJGPTULSNSU-UHFFFAOYSA-N;CCA22192;AB3204;AKOS005217388;CS-W021756;DS-14631;SY021684;FT-0653677;EN300-130917;A828989;Z992949552

Chemical Property of 3-(2-Bromo-phenyl)-propan-1-OL

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 294.972 °C at 760 mmHg
• PKA: 15.00±0.10(Predicted)
• Flash Point: 132.195 °C
• PSA: 20.23000
• Density: 1.411 g/cm³
• LogP: 2.37400
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 213.99933
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Bromo-phenyl)-propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCCO)Br

Technology Process of 3-(2-Bromo-phenyl)-propan-1-OL

There total 22 articles about 3-(2-Bromo-phenyl)-propan-1-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: 100.0%

3-(2-bromophenyl)propionic acid (15115-58-9) → 3-(2-bromo-phenyl)-propan-1-ol (52221-92-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 ℃; for 1.25h;

Reference yield: 100.0%

3-(2-bromophenyl)propanoic acid,methyl ester (66191-86-4) → 3-(2-bromo-phenyl)-propan-1-ol (52221-92-8)

Guidance literature:

With diisobutylaluminium hydride; In toluene; 1.) -78 deg C, 2 h, 2.) from -78 deg C to 0 deg C, 2 h;

DOI:10.1021/jm00113a030

Reference yield: 98.0%

(E:Z)-3-(2-bromo-phenyl)-acrylic acid ethyl ester (99134-25-5) → 3-(2-bromo-phenyl)-propan-1-ol (52221-92-8)

Guidance literature:

With lithium triethylborohydride; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1039/c3cc45452e

upstream raw materials:

3-(2-bromophenyl)propionic acid

3-(2-bromophenyl)propanoic acid,methyl ester

3-(2-bromophey)propionic acid ethyl ester

3-(o-bromophenyl)propanal

Downstream raw materials:

1-bromo-2-(3-bromopropyl)benzene

1-bromo-2-(3-chloropropyl)benzene

1-bromo-2-(3-trityloxy-propyl)-benzene

1-bromo-2-(3-iodopropyl)benzene