1-(4-Chlorophenyl)prop-2-yn-1-ol

Base Information

• Chemical Name: 1-(4-Chlorophenyl)prop-2-yn-1-ol
• CAS No.: 29805-11-6
• Molecular Formula: C9H7 Cl O
• Molecular Weight: 166.607
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID60464669
• Nikkaji Number: J1.534.000B
• Mol file: 29805-11-6.mol

Synonyms:1-(4-chlorophenyl)prop-2-yn-1-ol;29805-11-6;1-(4-chlorophenyl)-2-propyn-1-ol;1-(4-CHLORO-PHENYL)-PROP-2-YN-1-OL;SCHEMBL1920526;3-(4-chlorophenyl)propyn-3-ol;DTXSID60464669;LPJLPGPHEDSJHU-UHFFFAOYSA-N;AC5833;MFCD09032689;AKOS006240008;AB90904;SY045243;CS-0433604;FT-0768941;EN300-190183;A924869

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

Chemical Property:

• Vapor Pressure: 0.00956mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 253.3°C at 760 mmHg
• PKA: 12.19±0.20(Predicted)
• Flash Point: 107°C
• PSA: 20.23000
• Density: 1.255g/cm³
• LogP: 2.00660
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 166.0185425
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)prop-2-yn-1-ol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(C1=CC=C(C=C1)Cl)O

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

There total 9 articles about 1-(4-Chlorophenyl)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: 96.0%

4-chlorobenzaldehyde (104-88-1) + acetylenemagnesium bromide (4301-14-8) → 1-(4-chlorophenyl)prop-2-yn-1-ol (29805-11-6)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 20h;

DOI:10.1021/jacs.0c07830

Reference yield: 88.0%

1-(4-chlorophenyl)-3-(trimethylsilyl)prop-2-yn-1-ol (1041849-95-9,1132664-68-6) → 1-(4-chlorophenyl)prop-2-yn-1-ol (29805-11-6)

Guidance literature:

With potassium fluoride; In methanol; at 20 ℃; for 3h;

Reference yield:

4-chlorobenzaldehyde (104-88-1) + trimethylsilylacetylene (1066-54-2) → 1-(4-chlorophenyl)prop-2-yn-1-ol (29805-11-6)

Guidance literature:

trimethylsilylacetylene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

4-chlorobenzaldehyde; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

With water; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol901891u

upstream raw materials:

4-chlorobenzaldehyde

acetylene

acetylenemagnesium bromide

trimethylsilylacetylene

Downstream raw materials:

1-<4-Chlor-phenyl>-hexadiin-(2,4)-ol-(1)

1-(4-chlorophenyl)-2-propyn-1-one

(+/-)-N-[1-(4-chlorophenyl)-2-propynyl]acetamide

2-[3-hydroxy-3-(p-chlorophenyl)]-prop-1-ynyl benzyl alcohol