(4-(Pyridin-4-yl)phenyl)methanol

Base Information

• Chemical Name: (4-(Pyridin-4-yl)phenyl)methanol
• CAS No.: 217192-22-8
• Molecular Formula: C12H11NO
• Molecular Weight: 185.225
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70383776
• Wikidata: Q82175571
• ChEMBL ID: CHEMBL3696205
• Mol file: 217192-22-8.mol

Synonyms:217192-22-8;(4-(Pyridin-4-yl)phenyl)methanol;(4-Pyrid-4-ylphenyl)methanol;(4-pyridin-4-ylphenyl)methanol;4-[4-(Hydroxymethyl)phenyl]pyridine;(4-PYRIDIN-4-YL-PHENYL)-METHANOL;[4-(pyridin-4-yl)phenyl]methanol;4-(4-Pyridinyl)benzenemethanol;4-(4-HYDROXYMETHYLPHENYL)PYRIDINE;BENZENEMETHANOL, 4-(4-PYRIDINYL)-;4-(4-pyridyl)benzyl alcohol;SCHEMBL1439245;CHEMBL3696205;DTXSID70383776;CHEBI:195049;JTQRRRUVWBLIFL-UHFFFAOYSA-N;4-[pyridin-4-yl]-benzyl alcohol;BDBM152262;[4-(4-pyridyl)-phenyl]-methanol;MFCD04114576;AKOS006344716;AB18588;US8993552, 4A6 Compound 45;PS-11326;(4-pyrid-4-ylphenyl)methanol, AldrichCPR;CS-0157565;FT-0690455;D94948;A815628;W-206675;BRD-K95822504-001-01-7

Chemical Property of (4-(Pyridin-4-yl)phenyl)methanol

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Melting Point: 173 °C
• Refractive Index: 1.6
• Boiling Point: 350.2 °C at 760 mmHg
• PKA: 13.99±0.10(Predicted)
• Flash Point: 165.6 °C
• PSA: 33.12000
• Density: 1.145 g/cm³
• LogP: 2.24090
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.084063974
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

4-[4-(Hydroxymethyl)phenyl]pyridine 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)C2=CC=NC=C2

Technology Process of (4-(Pyridin-4-yl)phenyl)methanol

There total 7 articles about (4-(Pyridin-4-yl)phenyl)methanol 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: 97.0%

4-pyridylboronic acid (1692-15-5) + para-Chlorobenzyl alcohol (873-76-7) → 4-[pyridin-4-yl]-benzyl alcohol (217192-22-8)

Guidance literature:

With C₄₉H₅₄ClN₃Pd; caesium carbonate; In isopropyl alcohol; at 80 ℃; for 32h; Inert atmosphere; Schlenk technique;

Reference yield: 72.0%

4-(pyridin-4-yl)benzaldehyde (99163-12-9) → 4-[pyridin-4-yl]-benzyl alcohol (217192-22-8)

Guidance literature:

With sodium tetrahydroborate; sodium hydroxide; In methanol; at 0 - 20 ℃;

DOI:10.1021/ic901972h

Reference yield: 61.2%

4-bromobenzenemethanol (873-75-6) + 4-pyridineboronic acid pinacol ester (181219-01-2) → 4-[pyridin-4-yl]-benzyl alcohol (217192-22-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; at 100 ℃; Inert atmosphere;

upstream raw materials:

4-bromopyridin

4-(tert-butyldimethylsiloxymethyl)bromobenzene

chloroformic acid ethyl ester

4-(pyridin-4-yl)benzaldehyde

Downstream raw materials:

4-[4-(chloromethyl)phenyl]pyridine hydrochloride

4-(4-(chloromethyl)phenyl)pyridine

4-acetoxymethylpyridine

[4-(4-(hydroxymethyl)phenylpyridinium)ethylbromide][OTf]