2-Methylnicotinaldehyde

Base Information

• Chemical Name: 2-Methylnicotinaldehyde
• CAS No.: 60032-57-7
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• Hs Code.: 2933399090
• European Community (EC) Number: 633-135-4
• DSSTox Substance ID: DTXSID90454518
• Wikidata: Q72496555
• Mol file: 60032-57-7.mol

Synonyms:2-methylnicotinaldehyde;60032-57-7;2-Methylpyridine-3-carbaldehyde;2-METHYLPYRIDINE-3-CARBOXALDEHYDE;3-Pyridinecarboxaldehyde, 2-methyl-;MFCD08234911;MESsodiumsalt;2-Methyl-pyridine-3-carbaldehyde;2-methyl nicotinaldehyde;SCHEMBL312449;2-methyl-3-pyridinecarbaldehyde;2-methyl pyridine-3-carbaldehyde;2-methyl-pyridine 3-carbaldehyde;DTXSID90454518;JHRPHASLIZOEBJ-UHFFFAOYSA-N;AMY23019;CL0326;AKOS006230719;CS-W018953;PB27878;2-Methylpyridine-3-carboxaldehyde, 97%;DS-12510;SY042068;A8405;FT-0647208;EN300-69367;J-510094;Z1104852897

Chemical Property of 2-Methylnicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.178mmHg at 25°C
• Melting Point: 242 °C (decomp)
• Refractive Index: 1.563
• Boiling Point: 211.886 °C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 86.335 °C
• PSA: 29.96000
• Density: 1.095 g/cm³
• LogP: 1.20250
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.052763847
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylnicotinaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=N1)C=O
• Uses: 2-Methylnicotinaldehyde is a useful research chemical.

Technology Process of 2-Methylnicotinaldehyde

There total 2 articles about 2-Methylnicotinaldehyde 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: 31.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3-bromo-2-picoline (38749-79-0) → 2-methylnicotinaldehyde (60032-57-7)

Guidance literature:

3-bromo-2-picoline; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 1h;

Reference yield:

2,3-Lutidine (583-61-9) → 3-methylpyridine-2-carboxaldehyde (55589-47-4) + 2-methylnicotinaldehyde (60032-57-7)

Guidance literature:

β-VO(PO3)2; In gas; at 400 ℃; Product distribution; Rate constant; selectivity of reaction, rates of partial and total oxidation;

DOI:10.1007/BF00515425

Reference yield: 92.0%

2-methylnicotinaldehyde (60032-57-7) + (Rs)-2,4,6-trimethylbenzenesulfinamide (446021-73-4) → C16H18N2OS

Guidance literature:

With titanium(IV) tetraethanolate; In dichloromethane; Reflux;

DOI:10.1021/jacs.9b02238

upstream raw materials:

2,3-Lutidine

N,N-dimethyl-formamide

3-bromo-2-picoline

Downstream raw materials:

[2'-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-biphenyl-4-yl]-(2-methyl-pyridin-3-yl)-methanol

diphenylmethyl 7β-tert-butoxycarbonylamino-3-[(Z)-2-(2-methylpyridin-3-yl)vinyl]-3-cephem-4-carboxylate

3-(difluoromethyl)-2-methylpyridine

3-[2'-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-biphenyl-4-ylmethyl]-2-methyl-pyridine

Refernces

• 1、 -. "IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS". Page/Page column 95. . Retrieved 2009/12/27.