(4-Chlorophenyl)(pyridin-2-yl)methanol

Base Information

• Chemical Name: (4-Chlorophenyl)(pyridin-2-yl)methanol
• CAS No.: 27652-89-7
• Molecular Formula: C12H10ClNO
• Molecular Weight: 219.671
• Hs Code.: 2933399090
• European Community (EC) Number: 248-592-1
• NSC Number: 47970,31264
• UNII: 7WG0AN693Y
• DSSTox Substance ID: DTXSID801286693
• Nikkaji Number: J29.192G
• Mol file: 27652-89-7.mol

Synonyms:27652-89-7;(4-chlorophenyl)(pyridin-2-yl)methanol;4-CHLOROPHENYL-2-PYRIDINYLMETHANOL;alpha-(4-Chlorophenyl)pyridine-2-methanol;alpha-(4-Chlorophenyl)-2-pyridinemethanol;(4-chlorophenyl)-pyridin-2-ylmethanol;7WG0AN693Y;EINECS 248-592-1;NSC-31264;NSC-47970;2-Pyridinemethanol,a-(4-chlorophenyl)-;2-Pyridinemethanol, alpha-(4-chlorophenyl)-;NSC47970;UNII-7WG0AN693Y;Oprea1_370014;SCHEMBL3678911;DTXSID801286693;(4-chlorophenyl)-2-pyridylmethanol;BCP30107;BHA02247;CS-B0344;NSC31264;4-Chlorphenyl-(2-pyridyl)-methanol;MFCD00023493;NSC 31264;NSC 47970;AKOS003406653;AC-5509;DS-4994;SB47925;2-(alpha-Hydroxy-4-chlorobenzyl)pyridine;A5336;AM20080856;C2646;FT-0651514;(P-CHLOROPHENYL)(2-PYRIDINYL)METHANOL;2-Pyridinemethanol, .alpha.-(4-chlorophenyl)-;.ALPHA.-(4-CHLOROPHENYL)-2-PYRIDINEMETHANOL;J-016841;(S)-(2-Pyridinyl)(4-chlorophenyl)methanol pound>>(S)-alpha-(4-chlorophenyl)pyridine-2-methanol

Chemical Property of (4-Chlorophenyl)(pyridin-2-yl)methanol

Chemical Property:

• Appearance/Colour: light-brown solid
• Vapor Pressure: 6.01E-06mmHg at 25°C
• Melting Point: 78-80?C
• Refractive Index: 1.614
• Boiling Point: 364.3 °C at 760 mmHg
• PKA: 12.46±0.20(Predicted)
• Flash Point: 174.1 °C
• PSA: 33.12000
• Density: 1.275 g/cm³
• LogP: 2.81670
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.0450916
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorophenyl-2-pyridinylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)O
• Uses: α-(4-Chlorophenyl)-2-pyridinemethanol is used as a reagent in the synthesis of Carbinoxamine (Maleate salt: C175920), a histamine H1 antagonist. α-(4-Chlorophenyl)-2-pyridinemethanol is also an intermediate in the synthesis of Bepotastine besylate (B317000), a non-sedating H1-antagonist that has anti-inflammatory activity.

Technology Process of (4-Chlorophenyl)(pyridin-2-yl)methanol

There total 18 articles about (4-Chlorophenyl)(pyridin-2-yl)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: 99.0%

2-(4-chlorobenzoyl)pyridine (6318-51-0) → (4-chlorophenyl)-2-pyridylmethanol (27652-89-7)

Guidance literature:

With IDCC cells; at 25 ℃; for 432h; Product distribution; also 4-(4-chlorobenzoyl)pyridine, var. immobilized plant cells culture, other time;

DOI:10.1248/cpb.46.419

Reference yield: 96.0%

pyridine-2-carbaldehyde (1121-60-4) + bromochlorobenzene (106-39-8) → (4-chlorophenyl)-2-pyridylmethanol (27652-89-7)

Guidance literature:

bromochlorobenzene; With magnesium; In tetrahydrofuran; for 2h; Heating;

pyridine-2-carbaldehyde; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2005.04.034

Reference yield: 94.0%

pyridine-2-carbaldehyde (1121-60-4) + (4-chlorphenyl)magnesium bromide (873-77-8) → (4-chlorophenyl)-2-pyridylmethanol (27652-89-7)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.55h; Inert atmosphere;

DOI:10.1016/j.tet.2010.02.078

upstream raw materials:

pyridine-2-carbaldehyde

(4-chlorphenyl)magnesium bromide

2-Picolinic acid

4-chlorobenzaldehyde

Downstream raw materials:

2-[chloro(4-chlorophenyl)methyl]pyridine

2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethylethanamine

Refernces

• 1、 -. "Green synthesis method of polyaryl substituted methanol". Paragraph 0127-0131. . Retrieved 2021/04/17.
• 2、 Barigye, Stephen J.,Carpio, Laureano E.,Ferroud, Clotilde,Giner, Rosa M.,Goya-Jorge, Elizabeth,Gozalbes, Rafael,Loones, Nicolas,Rampal, Celine,Sylla-Iyarreta Veitía, Maité. "Targeting the aryl hydrocarbon receptor with a novel set of triarylmethanes". supporting information. . Retrieved 2020/10/02.