2,2'-Biphenol

Base Information

• Chemical Name: 2,2'-Biphenol
• CAS No.: 1806-29-7
• Molecular Formula: C12H10O2
• Molecular Weight: 186.21
• Hs Code.: 29029090
• European Community (EC) Number: 217-303-0
• NSC Number: 37068
• UNII: PM2R53I3C9
• DSSTox Substance ID: DTXSID6051809
• Nikkaji Number: J7.779H
• Wikipedia: 2,2%27-Biphenol,2'-Biphenol
• Wikidata: Q27103998
• Metabolomics Workbench ID: 51908
• ChEMBL ID: CHEMBL183874
• Mol file: 1806-29-7.mol

Synonyms:2,2'-biphenol;2,2'-biphenyldiol;2,2'-dihydroxybiphenyl;o,o'-biphenol

Chemical Property of 2,2'-Biphenol

Chemical Property:

• Appearance/Colour: Beige to greyish-beige powder
• Melting Point: 108-110 °C
• Refractive Index: 1.6086 (estimate)
• Boiling Point: 314.999 °C at 760 mmHg
• PKA: 7.32±0.10(Predicted)
• Flash Point: 160.803 °C
• PSA: 40.46000
• Density: 1.228 g/cm³
• LogP: 2.76480
• Storage Temp.: Store below +30°C.
• Water Solubility.: insoluble
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.068079557
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2,2''-Biphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 37/38-41-36-22
• Safety Statements: 26-39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2O)O
• General Description: 2,2'-Biphenol is a chiral compound used in the study to derive pendants for a helical polyacetylene (poly-1), which serves as a sensitive probe for detecting hidden chirality in hydrocarbons and deuterated isotopomers. Its incorporation into poly-1 enables chiral amplification and memory, allowing the polymer to form an excess one-handed helix in response to subtle chiral environments. This property facilitates the visualization of otherwise undetectable chirality through circular dichroism (CD) spectroscopy, making 2,2'-Biphenol a key component in advancing chiral detection techniques.

Technology Process of 2,2'-Biphenol

There total 75 articles about 2,2'-Biphenol 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: 97.5%

2,2'-Dimethoxybiphenyl (4877-93-4) → 2,2'-dihydroxybiphenyl (1806-29-7)

Guidance literature:

With aluminium trichloride; In ethanethiol; for 0.5h; Ambient temperature;

DOI:10.1021/jo01310a003

Reference yield: 75.5%

2-hydroxybromobenzene (95-56-7) → 2,2'-dihydroxybiphenyl (1806-29-7)

Guidance literature:

With palladium 10% on activated carbon; potassium acetate; bis(pinacol)diborane; In ethanol; at 60 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0036-1591892

Reference yield: 43.0%

1-Chloro-4-fluorobenzene (352-33-0) + 2-hydroxybromobenzene (95-56-7) → 2,2'-dihydroxybiphenyl (1806-29-7) + 4,4'-difluorobiphenyl (398-23-2) + 4'-fluoro-[1,1'-biphenyl]-2-ol (80254-62-2)

Guidance literature:

With NaH-t-AmONa-Ni(OAc)2-bpy-KI; In tetrahydrofuran; benzene; at 63 ℃; for 3h; Yields of byproduct given;

DOI:10.1021/jo00281a028

upstream raw materials:

dibenzofuran

6,6'-dihydroxy-1,1'-biphenyl-3,3'-dicarboxylic acid

phenol

dioxin

Downstream raw materials:

2,2-bis(benzyloxy)biphenyl

2,2'-diethoxy-1,1'-biphenyl

2,2,2',2'-tetraphenyl-2,2'-(6,6'-dihydroxy-biphenyl-3,3'-diyl)-di-acetic acid

biphenyl

Refernces

Direct Detection of Hardly Detectable Hidden Chirality of Hydrocarbons and Deuterated Isotopomers by a Helical Polyacetylene through Chiral Amplification and Memory

10.1021/jacs.7b10981

The research focuses on the direct detection of hidden chirality in hydrocarbons and deuterated isotopomers, which are challenging to detect using conventional optical spectroscopic methods. The experiments utilize a helical polyacetylene, poly-1, bearing 2,2’-biphenol derived pendants that exhibit circular dichroism in response to the subtle chirality of saturated tertiary or chiroptical quaternary hydrocarbons and deuterated isotopomers. The polyacetylene forms an excess one-handed helix induced by the chiral molecules, significantly amplifying and memorizing the chirality, which allows for the storage of chiral information as a single-handed helix memory over time. The study involves the measurement of circular dichroism (CD) and absorption spectra of poly-1 in various chiral hydrocarbons as solvents, and the analysis of the induced CD (ICD) to determine the absolute configurations and enantiomeric excess (ee) of the chiral hydrocarbons and isotopomers. The experiments demonstrate that poly-1 is highly sensitive to minute chirality, enabling the direct visualization of hidden chirality by CD spectroscopy for the first time.

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