2,4-Diphenylbut-3-yn-2-ol

Base Information

• Chemical Name: 2,4-Diphenylbut-3-yn-2-ol
• CAS No.: 5876-69-7
• Molecular Formula: C16H14O
• Molecular Weight: 222.287
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID60383169
• Nikkaji Number: J2.379.777A,J758.190D
• Mol file: 5876-69-7.mol

Synonyms:2,4-diphenylbut-3-yn-2-ol;5876-69-7;2,4-DIPHENYL-3-BUTYN-2-OL;2,4-Diphenyl-but-3-yn-2-ol;SCHEMBL523695;1,3-Diphenyl-1-butyne-3-ol;DTXSID60383169;MFCD00041571;STL112771;AKOS005737591;CS-0364934;FT-0736168;methyl?4-amino-3-(2-ethoxy-2-oxoethoxy)benzoate;SR-01000319508;SR-01000319508-1;(+)-alpha-Methyl-alpha-(phenylethynyl)benzenemethanol

Chemical Property of 2,4-Diphenylbut-3-yn-2-ol

Chemical Property:

• Melting Point: 72-73 °C
• Boiling Point: 130-131 °C(Press: 5e-2 Torr)
• PKA: 12.19±0.29(Predicted)
• PSA: 20.23000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 2.94580
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 222.104465066
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#CC1=CC=CC=C1)(C2=CC=CC=C2)O

Technology Process of 2,4-Diphenylbut-3-yn-2-ol

There total 14 articles about 2,4-Diphenylbut-3-yn-2-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: 91.0%

1,3-diphenyl-2-propynone (7338-94-5) + [3-(dimethylamino)propyl]dimethyl aluminium(III) → 2,4-diphenylbut-3-yn-2-ol (5876-69-7)

Guidance literature:

In toluene; at 80 ℃; for 5h;

DOI:10.1055/s-1996-4334

Reference yield: 87.0%

phenylacetylene (536-74-3) + acetophenone (98-86-2) → 2,4-diphenylbut-3-yn-2-ol (5876-69-7)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In water; dimethyl sulfoxide; at 5 ℃; for 3h;

DOI:10.1002/ejoc.201402275

Reference yield: 78.0%

acetophenone (98-86-2) + lithium phenylacetylide (4440-01-1) → 2,4-diphenylbut-3-yn-2-ol (5876-69-7)

Guidance literature:

In tetrahydrofuran; at 20 - 23 ℃;

DOI:10.1023/A:1021691426904

upstream raw materials:

phenylacetylene

acetophenone

phenylethynylmagnesium bromide

(phenylethynyl)sodium

Downstream raw materials:

2-furyl-4-methyl-3-benzoylchromane

2-cinnamyl-4-methyl-3-benzoylchromane

3-methoxy-1,3-diphenyl-1-butyne

dypnone