3-(4-Bromophenyl)prop-2-yn-1-ol

Base Information

• Chemical Name: 3-(4-Bromophenyl)prop-2-yn-1-ol
• CAS No.: 37614-58-7
• Molecular Formula: C9H7BrO
• Molecular Weight: 211.058
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID00398757
• Nikkaji Number: J1.069.255E
• Wikidata: Q82200907
• Mol file: 37614-58-7.mol

Synonyms:3-(4-bromophenyl)prop-2-yn-1-ol;37614-58-7;3-(4-bromophenyl)-2-propyn-1-ol;3-(4-Bromo-phenyl)-prop-2-yn-1-ol;MFCD01250510;2-Propyn-1-ol,3-(4-bromophenyl)-;3-(4-bromophenyl)-2-propyne-1-ol;SCHEMBL81530;3-(4-bromophenyl)-2-propynol;DTXSID00398757;XXVUZDYGEDBOHT-UHFFFAOYSA-N;1-(4-bromophenyl)-1-propyne-3-ol;3-(4-bromophenyl)-prop-2-yn-1-ol;AKOS004117940;SY283701;CS-0131523;FT-0709576;A50682;EN300-330041

Chemical Property of 3-(4-Bromophenyl)prop-2-yn-1-ol

Chemical Property:

• Boiling Point: 304.2 °C at 760 mmHg
• Flash Point: 137.8 °C
• PSA: 20.23000
• Density: 1.58 g/cm³
• LogP: 1.79290
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.96803
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

OH024378:3-(4-Bromo-phenyl)-prop-2-yn-1-ol 98 ^*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

Technology Process of 3-(4-Bromophenyl)prop-2-yn-1-ol

There total 19 articles about 3-(4-Bromophenyl)prop-2-yn-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: 99.0%

1,4-bromoiodobenzene (589-87-7) + propargyl alcohol (107-19-7) → 3-(4-bromophenyl)prop-2-yn-1-ol (37614-58-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20 ℃;

DOI:10.1039/c8ob02110d

Reference yield: 96.0%

n-<(trimethylsiloxy)methyl>phthalimide (19070-80-5) + (4-bromophenyl)(trimethylsilyl)acetylene (16116-78-2) → 3-(4-bromophenyl)prop-2-yn-1-ol (37614-58-7)

Guidance literature:

n-<(trimethylsiloxy)methyl>phthalimide; (4-bromophenyl)(trimethylsilyl)acetylene; With sodium phenoxide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

With potassium carbonate; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/ejoc.201701440

Reference yield: 88.0%

1,4-bromoiodobenzene (589-87-7) + propargyl alcohol (107-19-7) → 1-(4-bromophenyl)-1-propyne-3-ol B + 3-(4-bromophenyl)prop-2-yn-1-ol (37614-58-7)

Guidance literature:

Pd(PPh₃)4; In triethylamine;

upstream raw materials:

1,4-bromoiodobenzene

propargyl alcohol

formaldehyd

4-bromo-1-ethynylbenzene

Downstream raw materials:

3-(4-bromophenyl)-2-propyn-1-t-butyldimethylsilyl ether

1-bromo-4-(3-bromoprop-1-yn-1-yl)benzene

3-(4-bromophenyl)prop-2-ynal

Ethyl (Z)-[4-[3-(4-Bromophenyl)-3-iodoallylsulfanyl]-2-methylphenoxy]acetate