1,1-Diphenylprop-2-ynylbenzene

Base Information

• Chemical Name: 1,1-Diphenylprop-2-ynylbenzene
• CAS No.: 6104-51-4
• Molecular Formula: C21H16
• Molecular Weight: 268.358
• DSSTox Substance ID: DTXSID60399381
• Nikkaji Number: J714.521G
• Wikidata: Q82201892
• Mol file: 6104-51-4.mol

Synonyms:1,1-diphenylprop-2-ynylbenzene;Benzene, 1,1',1''-(2-propynylidyne)tris-;6104-51-4;3,3,3- Triphenylpropyn;3,3,3-Triphenyl-1-propyne;DTXSID60399381;(1,1-diphenyl-2-propynyl)benzene;AKOS024330588

Chemical Property of 1,1-Diphenylprop-2-ynylbenzene

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 268.125200510
• Heavy Atom Count: 21
• Complexity: 307

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1,1-Diphenylprop-2-ynylbenzene

There total 5 articles about 1,1-Diphenylprop-2-ynylbenzene 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: 95.0%

ethynylmagnesium chloride (65032-27-1) + trityl chloride (76-83-5) → tritylacetylene (6104-51-4)

Guidance literature:

trityl chloride; With acetyl chloride; for 0.5h; Reflux; Inert atmosphere;

ethynylmagnesium chloride; In benzene; Reflux;

DOI:10.1021/jo901261j

Reference yield: 80.0%

trityl chloride (76-83-5) + acetylenemagnesium bromide (4301-14-8) → tritylacetylene (6104-51-4)

Guidance literature:

In tetrahydrofuran; for 32h;

DOI:10.1021/ja0119447

Reference yield: 80.0%

trityl chloride (76-83-5) + acetylenemagnesium bromide (4301-14-8) → triphenylmethane (519-73-3) + tritylacetylene (6104-51-4)

Guidance literature:

In tetrahydrofuran; for 5h; Heating;

DOI:10.1021/ja025753v

upstream raw materials:

triphenylacetic acid

trimethylaluminum

acetylene

trityl chloride

Downstream raw materials:

2,5-bis(3,3,3-triphenylpropynyl)pyridine

3,6-bis(3,3,3-triphenylpropynyl)pyridazine

C₄₇H₃₁⁽²⁾H₂N

N-4-(3,3,3-triphenylprop-1-yn-1-yl)phenyl-dihydromaleimido-[3,4-d]-phenyl-Δ²-1,2,3-triazoline

Refernces

• 1、 Dominguez, Zaira,Dang, Hung,Strouse, M. Jane,Garcia-Garibay, Miguel A.. "Molecular "compasses" and "gyroscopes". I. Expedient synthesis and solid state dynamics of an open rotor with a bis(triarylmethyl) frame". . p. 2398 - 2399. Retrieved 2002.
• 2、 Rodriguez-Molina, Braulio,Ochoa, Ma. Eugenia,Farfan, Norberto,Santillan, Rosa,Garcia-Garibay, Miguel A.. "Synthesis, characterization, and rotational dynamics of crystalline molecular compasses with N-heterocyclic rotators". supporting information; experimental part. p. 8554 - 8565. Retrieved 2010/02/28.