2,4-Hexadiyne-1,6-diol, 1,1,6,6-tetraphenyl-

Base Information

• Chemical Name: 2,4-Hexadiyne-1,6-diol, 1,1,6,6-tetraphenyl-
• CAS No.: 20583-04-4
• Molecular Formula: C30H22O2
• Molecular Weight: 414.503
• Hs Code.: 2906299090
• European Community (EC) Number: 683-560-4
• DSSTox Substance ID: DTXSID80174596
• Nikkaji Number: J434.523A
• Wikidata: Q83044688
• Mol file: 20583-04-4.mol

Synonyms:20583-04-4;2,4-HEXADIYNE-1,6-DIOL, 1,1,6,6-TETRAPHENYL-;1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol;1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol;BRN 2633165;1,3-Butadiyne-1,4-diylbis(diphenylmethanol);4-06-00-07094 (Beilstein Handbook Reference);TOD-7;SCHEMBL414397;DTXSID80174596;AKOS024430189;C30-H22-O2;LS-74923

Chemical Property of 2,4-Hexadiyne-1,6-diol, 1,1,6,6-tetraphenyl-

Chemical Property:

• Vapor Pressure: 6.49E-18mmHg at 25°C
• Boiling Point: 652.5°Cat760mmHg
• Flash Point: 289°C
• PSA: 40.46000
• Density: 1.224g/cm³
• LogP: 4.86540
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 414.161979940
• Heavy Atom Count: 32
• Complexity: 616

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C#CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C4=CC=CC=C4)O

Technology Process of 2,4-Hexadiyne-1,6-diol, 1,1,6,6-tetraphenyl-

There total 11 articles about 2,4-Hexadiyne-1,6-diol, 1,1,6,6-tetraphenyl- 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: 89.0%

1,1-diphenyl-2-propyn-1-ol (3923-52-2) → 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol (20583-04-4)

Guidance literature:

With pyridine; copper diacetate; In methanol; at 60 ℃; for 10h;

DOI:10.1246/bcsj.78.2188

Reference yield: 68.0%

benzophenone (119-61-9) + 1,1-diethoxy-2-butyne (2806-97-5) → 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol (20583-04-4)

Guidance literature:

1,1-diethoxy-2-butyne; With n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane; at -78 - -40 ℃; for 2h;

benzophenone; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 16h; Further stages.;

DOI:10.1002/ejoc.200700520

Reference yield:

1,1,4,4-tetraphenyl-2-butyne-1,4-diol (1483-74-5) → 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol (20583-04-4)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / 170 °C / unter vermindertem Druck

2: methanol; ethylamine; CuCl

With methanol; potassium carbonate; ethylamine; copper(l) chloride;

upstream raw materials:

1-Bromo-3,3-diphenyl-1-propyn-3-ol

1,1-diphenyl-2-propyn-1-ol

hexa-2,4-diynedioic acid diethyl ester

phenylmagnesium bromide

Downstream raw materials:

1,1,6,6-tetraphenyl-1,2,3,4,5-hexapentaene

1,1,6,6-tetraphenyl-hexane-1,6-diol

1.1.6.6-tetraphenyl-hexadiene-(2c.4c)-diol-(1.6)

1,1,6,6-tetraphenyl-hexa-2t,4t-diene-1,6-diol