methyl 6-methylnicotinate

What is methyl 6-methylnicotinate cas no. 5470-70-2,a producer telling you the result.

CAS NO. 5470-70-2

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To begin with, let us tell you what is the basic information of methyl 6-methylnicotinate?

CAS Number	5470-70-2	Density	1.1±0.1 g/cm3
Molecular Weight	151.16	Melting Point	34-37 °C(lit.)
Boiling Point	228.4±0.0 °C at 760 mmHg	Flash Point	103.3±0.0 °C
Molecular Formula	C8H9NO2	MSDS	Document

Like many stuff, it has many synonyms as follows

MFCD00006340

T6NJ B1 EVO1

methyl 6-methylpyridine-3-carboxylate

Methyl-6-methylpyridin-3-carboxylat

Methyl 6-methylnicotinate

3-Pyridinecarboxylic acid, 6-methyl-, methyl ester

6-Methylnicotinic acid methyl ester

Etoricoxib Impurity 20

6-Methyl Methyl Smoke

The chemical is very special,so we want to show some special properties as follows

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond receptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 4

6. Topological molecule polarity surface area 39.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 147

10. Number of Isotope Atoms: 0

11. Determine the number of atomic structure centers: 0

12. Number of uncertain atomic structure centers: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Second, the Synthetic Route we will recommend is the most important for your reference?

The synthesis line of methyl 6-methylnicotinate is as follows,if you want to produce it in the lab.

Add 200ml of anhydrous methanol (less than 0.05% water) to a 1000ml reaction flask with a reflux device and a hydrogen chloride absorption device, add 100g of 6-methylnicotinic acid, stir and dissolve. Heat up to 70 ℃, add 400g of sulfoxide chloride dropwise, and after dripping, keep it at this temperature for 1-5 hours. Take a sample for testing (if the raw material is less than 2%, the reaction ends), and lower the temperature to below 30 ℃. Steam out 550ml of methanol at atmospheric pressure (below 90 ℃), then lower the temperature and reduce the pressure (below 70 ℃) to evaporate the methanol. Then lower the temperature to below 20 ℃, add 400g of dichloroethane, stir and dissolve it for 45 minutes, add 200g of tap water, and adjust the pH to 6-9 with sodium bicarbonate, Stir the for 100 minutes, let it stand for layering, separate the lower organic layer, extract the water layer with 200g of dichloroethane once, merge the organic layers, wash with 200g of 6% sodium bicarbonate aqueous solution once, and then wash with 20% g of 6% salt water once. Stir and dry the organic layer with 6g of anhydrous magnesium sulfate for 3 hours, take samples and measure the water content. If it is less than 1%, filter, wash the filter cake with 20g of dichloroethane, and merge the filtrate, Retrieve 500g of dichloroethane at atmospheric pressure below 90 ℃, then cool to below 70 ℃ and vacuum distill until no obvious liquid flows out. Then, perform high vacuum fine flow and collect the pre boiling (applied in the next batch) until the boiling range stabilizes before collecting the positive boiling. Approximately 104.7g of 6-methylnicotinic acid dry product was obtained. Moisture content is less than 0.1%. The yield is 95%.

Other synthesis line

Third, what is the main usages of methyl 6-methylnicotinate ? pleas see below

A. Used for the treatment of central nervous system diseases with d-amino acid oxidase and d-aspartate oxidase inhibitors.

B. 6-Methyl nicotinate methyl ester belongs to pyridine derivatives and is an intermediate in organic synthesis, which can be used to synthesize etocoxib raw materials

Other usages as follows

A. One kind of raw material for producing 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-

pyrido[4,3-b]indole cas no. 3613-73-8