2,2,7,7-Tetramethyl-3,6-diphenyloct-4-yne-3,6-diol

Base Information

• Chemical Name: 2,2,7,7-Tetramethyl-3,6-diphenyloct-4-yne-3,6-diol
• CAS No.: 61578-67-4
• Molecular Formula: C24H30O2
• Molecular Weight: 350.501
• DSSTox Substance ID: DTXSID50491888

Synonyms:2,2,7,7-Tetramethyl-3,6-diphenyloct-4-yne-3,6-diol;61578-67-4;DTXSID50491888

Chemical Property of 2,2,7,7-Tetramethyl-3,6-diphenyloct-4-yne-3,6-diol

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 350.224580195
• Heavy Atom Count: 26
• Complexity: 480

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,7,7-Tetramethyl-3,6-diphenyloct-4-yne-3,6-diol

There total 4 articles about 2,2,7,7-Tetramethyl-3,6-diphenyloct-4-yne-3,6-diol 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: 37.0%

calcium carbide + 2,2-dimethylpropiophenone (938-16-9) → 2,2,7,7-tetramethyl-3,6-diphenyloct-4-yne-3,6-diol (61578-67-4) + (S)-(-)-4,4,-dimethyl-3-phenyl-1-pentyn-3-ol (25225-47-2,81331-66-0,81370-63-0,81370-64-1)

Guidance literature:

calcium carbide; With potassium hydroxide; for 0.5h; Milling; Sealed tube;

2,2-dimethylpropiophenone; for 3h; Milling; Sealed tube;

DOI:10.1002/anie.201905670

Reference yield:

2,2-dimethylpropiophenone (938-16-9) + ethylene dibromide (106-93-4) → 2,2,7,7-tetramethyl-3,6-diphenyloct-4-yne-3,6-diol (61578-67-4)

Guidance literature:

With sodium amide; In N,N,N,N,N,N-hexamethylphosphoric triamide;

Reference yield:

ethynyldimagnesium dibromide (4301-15-9) + 2,2-dimethylpropiophenone (938-16-9) → 2,2,7,7-tetramethyl-3,6-diphenyloct-4-yne-3,6-diol (61578-67-4)

Guidance literature:

With diethyl ether; optically inactive compound of mp: 140 degree Celsius;

upstream raw materials:

2,2-dimethylpropiophenone

acetylene

ethylene dibromide

ethynyldimagnesium dibromide

Downstream raw materials:

3,6-dimethoxy-2,2,7,7-tetramethyl-3,6-diphenyl-oct-4-yne

2,α,2',α'-tetraacetoxy-5,5'-diamino-bibenzyl

cis-2,2,7,7-tetramethyl-3,6-diphenyl-octa-3,4,5-triene

trans-2,2,7,7-tetramethyl-3,6-diphenyl-octa-3,4,5-triene

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