(1R,6R)-1,6-bis(2-chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol

Base Information

• Chemical Name: (1R,6R)-1,6-bis(2-chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol
• CAS No.: 96158-84-8
• Molecular Formula: C30H20 Cl2 O2
• Molecular Weight: 483.394
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID60426484
• Nikkaji Number: J330.524D
• Wikidata: Q82239389
• Mol file: 96158-84-8.mol

Synonyms:(1R,6R)-1,6-bis(2-chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol;96158-84-8;(-)-1,6-Bis(2-chlorophenyl)-1,6-diphenyl-2,4-hexadiyne-1,6-diol;86436-20-6;DTXSID60426484;(1R,6R)-1,6-Bis(2-chlorophenyl)-1,6-diphenyl-2,4-hexadiyne-1,6-diol

Chemical Property of (1R,6R)-1,6-bis(2-chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol

Chemical Property:

• Vapor Pressure: 7.82E-21mmHg at 25°C
• Refractive Index: 1.671
• Boiling Point: 704.5°C at 760 mmHg
• Flash Point: 379.9°C
• PSA: 40.46000
• Density: 1.333g/cm³
• LogP: 6.17220
• Storage Temp.: 2-8°C
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 482.0840353
• Heavy Atom Count: 34
• Complexity: 735

Purity/Quality:

96% ^*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=C3Cl)O)(C4=CC=CC=C4Cl)O
• Isomeric SMILES: C1=CC=C(C=C1)[C@@](C#CC#C[C@](C2=CC=CC=C2)(C3=CC=CC=C3Cl)O)(C4=CC=CC=C4Cl)O

Technology Process of (1R,6R)-1,6-bis(2-chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol

There total 2 articles about (1R,6R)-1,6-bis(2-chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-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: 70.0%

(-)-1-phenyl-1-(o-chlorophenyl)-2-propyn-1-ol (13732-87-1) → (-)-1,6-diphenyl-1,6-di(o-chlorophenyl)-2,4-hexadiyne-1,6-diol (96158-84-8)

Guidance literature:

With CuCl₂*2Py; at 50 ℃; for 10h;

DOI:10.1246/cl.1990.987

Reference yield:

→ (-)-1,6-diphenyl-1,6-di(o-chlorophenyl)-2,4-hexadiyne-1,6-diol (96158-84-8)

Guidance literature:

Reference yield: 97.0%

2,3-homoptropone (3818-97-1) + (-)-1,6-diphenyl-1,6-di(o-chlorophenyl)-hexa-2,4-diyne-1,6-diol (86436-19-3,86436-20-6,96158-84-8,102795-47-1,102976-69-2) → 1,6-Bis-(2-chloro-phenyl)-1,6-diphenyl-hexa-2,4-diyne-1,6-diol; compound with bicyclo[5.1.0]octa-3,5-dien-2-one (116460-78-7,116480-96-7)

Guidance literature:

In diethyl ether; hexane; for 12h; Ambient temperature;

DOI:10.1016/S0040-4039(00)80174-4

upstream raw materials:

(-)-1-phenyl-1-(o-chlorophenyl)-2-propyn-1-ol

Downstream raw materials:

1,6-Bis-(2-chloro-phenyl)-1,6-diphenyl-hexa-2,4-diyne-1,6-diol; compound with bicyclo[5.1.0]octa-3,5-dien-2-one

1,6-Bis-(2-chloro-phenyl)-1,6-diphenyl-hexa-2,4-diyne-1,6-diol; compound with (3aR,6aR)-hexahydro-cyclopenta[b]furan-2-one

1,6-Bis-(2-chloro-phenyl)-1,6-diphenyl-hexa-2,4-diyne-1,6-diol; compound with (4aS,8aR)-octahydro-naphthalen-2-one

1,6-Bis-(2-chloro-phenyl)-1,6-diphenyl-hexa-2,4-diyne-1,6-diol; compound with (3aS,6aR)-3,3a,6,6a-tetrahydro-cyclopenta[b]furan-2-one

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