(3-Chlorophenyl)(pyridin-2-yl)methanone

Base Information

• Chemical Name: (3-Chlorophenyl)(pyridin-2-yl)methanone
• CAS No.: 73742-07-1
• Molecular Formula: C12H8ClNO
• Molecular Weight: 217.655
• European Community (EC) Number: 844-747-8
• DSSTox Substance ID: DTXSID90444035
• Wikidata: Q82262039
• Mol file: 73742-07-1.mol

Synonyms:(3-chlorophenyl)(pyridin-2-yl)methanone;73742-07-1;2-(3-CHLOROBENZOYL)PYRIDINE;(3-chlorophenyl)-pyridin-2-ylmethanone;MFCD07699235;SCHEMBL3836551;DTXSID90444035;STK737656;AKOS005174488;(3-Chlorophenyl)(2-pyridinyl)methanone;LS-04390;CS-0231452;FT-0683793;EN300-108396;Z872053002

Chemical Property of (3-Chlorophenyl)(pyridin-2-yl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 362.578oC at 760 mmHg
• Flash Point: 173.081oC
• PSA: 29.96000
• Density: 1.26g/cm3
• LogP: 2.96600
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.0294416
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

(3-chlorophenyl)(pyridin-2-yl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C(=O)C2=CC(=CC=C2)Cl

Technology Process of (3-Chlorophenyl)(pyridin-2-yl)methanone

There total 11 articles about (3-Chlorophenyl)(pyridin-2-yl)methanone 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: 90.0%

ethyl-2-picolinate (2524-52-9,1228273-66-2) + 1-bromo-3-chlorobenzene (108-37-2) → (3-chlorophenyl)(pyridin-2-yl)methanone (73742-07-1)

Guidance literature:

1-bromo-3-chlorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -30 ℃; for 0.000138889h; Flow reactor;

ethyl-2-picolinate; In tetrahydrofuran; hexane; at -30 ℃; for 0.000277778h; Flow reactor;

With acetic acid; In tetrahydrofuran; hexane; water; at 20 ℃; for 0.0333333h; Flow reactor;

DOI:10.1039/d1ob00288k

Reference yield: 86.0%

2-bromo-pyridine (109-04-6) + methyl 3-chlorobenzoate (2905-65-9) → (3-chlorophenyl)(pyridin-2-yl)methanone (73742-07-1)

Guidance literature:

2-bromo-pyridine; With n-butyllithium; In tetrahydrofuran; diethyl ether; hexane; at -90 ℃; for 0.25h;

methyl 3-chlorobenzoate; In various solvents; at -110 - 20 ℃; for 4h;

DOI:10.1023/A:1015585008246

Reference yield: 40.0%

pyridine-2-carbaldehyde (1121-60-4) + (3-chlorophenyl)magnesium bromide (36229-42-2) → (3-chlorophenyl)(pyridin-2-yl)methanone (73742-07-1)

Guidance literature:

In tetrahydrofuran; at 80 ℃; for 3h;

DOI:10.1021/jm701247k

upstream raw materials:

2-bromo-pyridine

3-chloro-benzeneacetonitrile

methyl 3-chlorobenzoate

carbon monoxide

Downstream raw materials:

2-[1-(3-chlorophenyl)-3-methyl-1-butenyl]pyridine

(3-chlorophenyl)[4-(pyrrolidin-1-ylmethyl)phenyl](pyridin-2-yl)methanol

C₁₉H₂₄ClNO

(3-chlorophenyl)-2-pyridylmethanol

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