3,4-Dimethoxyphenyl 2-pyridyl ketone

Base Information

• Chemical Name: 3,4-Dimethoxyphenyl 2-pyridyl ketone
• CAS No.: 27693-42-1
• Molecular Formula: C14H13 N O3
• Molecular Weight: 243.262
• Hs Code.: 2933399090
• European Community (EC) Number: 248-612-9
• UNII: MHT46RR45X
• DSSTox Substance ID: DTXSID00182052
• Nikkaji Number: J250.574F
• Wikidata: Q83052708
• Mol file: 27693-42-1.mol

Synonyms:27693-42-1;2-(3,4-DIMETHOXYBENZOYL)PYRIDINE;3,4-Dimethoxyphenyl 2-pyridyl ketone;(3,4-dimethoxyphenyl)-pyridin-2-ylmethanone;(3,4-dimethoxyphenyl)(pyridin-2-yl)methanone;EINECS 248-612-9;MHT46RR45X;MFCD07699275;UNII-MHT46RR45X;SCHEMBL5074203;DTXSID00182052;CBA69342;AKOS012086198;Ketone, 3,4-dimethoxyphenyl 2-pyridyl;(3,4-Dimethoxyphenyl)-2-pyridinylmethanone;(3,4-dimethoxyphenyl)-(2-pyridyl)methanone;CS-0336071;Methanone, (3,4-dimethoxyphenyl)-2-pyridinyl-

Chemical Property of 3,4-Dimethoxyphenyl 2-pyridyl ketone

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Melting Point: 94-95 °C
• Boiling Point: 401.7°Cat760mmHg
• PKA: 2.78±0.10(Predicted)
• Flash Point: 196.7°C
• PSA: 48.42000
• Density: 1.165g/cm³
• LogP: 2.32980
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 243.08954328
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

2-(3,4-Dimethoxybenzoyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C2=CC=CC=N2)OC
• Uses: 2-(3,4-Dimethoxybenzoyl)pyridine was synthesised and evaluated as potentially showing more antiinflammatory activity against carrageenan-induced edema in rat paws than 2-benzoylpyridine (B209570) in an effort to increase the efficacy of the latter. It was used as a reagent in the synthesis of 3,4-dihydroxyphenyl-(2-piperidyl)carbinols which are cyclic adrenaline derivatives, the most active of which may be potential powerful bronchodilators.

Technology Process of 3,4-Dimethoxyphenyl 2-pyridyl ketone

There total 6 articles about 3,4-Dimethoxyphenyl 2-pyridyl ketone 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: 40.0%

3,4-dimethoxybenzoic acid chloride (3535-37-3) + pyridin-2-ylzinc(II) bromide → (3,4-dimethoxyphenyl)(pyridin-2-yl)methanone (27693-42-1)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.07.004

Reference yield:

(3,4-dimethoxyphenyl)(pyridin-2-yl)methanol (31749-10-7) → (3,4-dimethoxyphenyl)(pyridin-2-yl)methanone (27693-42-1)

Guidance literature:

With potassium permanganate; water;

Reference yield:

2-bromo-pyridine (109-04-6) → (3,4-dimethoxyphenyl)(pyridin-2-yl)methanone (27693-42-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; acetone; hexane / 1 h / -78 °C

1.2: 1 h / -78 °C

2.1: pyridinium chlorochromate / dichloromethane / 4 h / 20 °C

With n-butyllithium; pyridinium chlorochromate; In tetrahydrofuran; hexane; dichloromethane; acetone;

DOI:10.1002/anie.201711209

upstream raw materials:

2-Picolinic acid

3,4-dimethoxy-benzaldehyde

(3,4-dimethoxyphenyl)(pyridin-2-yl)methanol

3,4-dimethoxybenzoic acid chloride

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