[ CAS No. 53636-65-0 ] {[proInfo.proName]}

Name: 53636-65-0|5-Methylpyridine-2,3-dicarboxylic acid|95%
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Quality Control of [ 53636-65-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 53636-65-0 ]

Product Details of [ 53636-65-0 ]

CAS No. :	53636-65-0	MDL No. :	MFCD05662425
Formula :	C₈H₇NO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JPIJMXOJEHMTPU-UHFFFAOYSA-N
M.W :	181.15	Pubchem ID :	14425308
Synonyms :

Calculated chemistry of [ 53636-65-0 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.12
Num. rotatable bonds :	2
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	43.12
TPSA :	87.49 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.98 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.47
Log Po/w (XLOGP3) :	0.6
Log Po/w (WLOGP) :	0.79
Log Po/w (MLOGP) :	-1.13
Log Po/w (SILICOS-IT) :	0.58
Consensus Log Po/w :	0.26

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.55
Solubility :	5.1 mg/ml ; 0.0281 mol/l
Class :	Very soluble
Log S (Ali) :	-2.01
Solubility :	1.77 mg/ml ; 0.00975 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.16
Solubility :	12.6 mg/ml ; 0.0693 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.68

Safety of [ 53636-65-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 53636-65-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 53636-65-0 ]
Downstream synthetic route of [ 53636-65-0 ]

[ 53636-65-0 ] Synthesis Path-Upstream 1~5

1
[ 75457-13-5 ]
[ 53636-65-0 ]

Yield	Reaction Conditions	Operation in experiment
58.6%	With formic acid; nitric acid In dichloromethane	A) A solution of 3-methyl-8-hydroxyquinoline (15.9 g, 0.10 mole) in methylene chloride is added to 70percent nitric acid (126 g, 1.8 mole) at a temperature of 80°-100° C. over a 1 hour period with stirring. The resulting overhead gases are scrubbed and vented. The reaction mixture is heated at 100°-105° for 4 hours, cooled to 85° C., treated with 88percent formic acid at 85°-95° C. over a 20 minute period, further heated at 85°-95° C. for 0.5 hour, cooled to 0°, stirred for 1 hour and filtered. The filtercake is washed with acetone and dried to give 5-methyl-2,3-pyridinedicarboxylic acid, 10.6 g (58.6percent yield), 97.4percent pure by HPLC analysis.

Reference： [1] Patent: US5371229, 1994, A,
[2] Patent: US5371229, 1994, A,
[3] Journal of the Chemical Society, 1956, p. 4433,4437
[4] Synthesis, 1989, # 11, p. 880 - 882

2
[ 112110-16-4 ]
[ 53636-65-0 ]

Reference： [1] Patent: US5122608, 1992, A,
[2] Patent: US5122608, 1992, A,
[3] Patent: US5122608, 1992, A,

3
[ 612-58-8 ]
[ 53636-65-0 ]

Reference： [1] Synthesis, 1989, # 11, p. 880 - 882

4
[ 20668-26-2 ]
[ 53636-65-0 ]

Reference： [1] Synthesis, 1989, # 11, p. 880 - 882

5
[ 104098-48-8 ]
[ 53636-65-0 ]
[ 957786-00-4 ]
[ 957786-04-8 ]
[ 957786-05-9 ]
[ 957786-01-5 ]
[ 53636-27-4 ]

Reference： [1] Journal of Agricultural and Food Chemistry, 2007, vol. 55, # 24, p. 9936 - 9943

[ 53636-65-0 ] Synthesis Path-Downstream 1~21

1
[ 75457-13-5 ]
[ 53636-65-0 ]

Yield	Reaction Conditions	Operation in experiment
78.3%	With formic acid; manganese dioxide; nitric acid;	A) A solution of 3-methyl-8-hydroxyquinoline (15.9 g, 0.10 mole) is added to a mixture of 70% nitric acid (162 g, 1.8 mole) (18 molar equivalents) and Manganese dioxide (0.33 g, 0.0038 mole) (0.038 molar equivalents) at a temperature of 80-100 C. over a 1 hour period, with stirring. The resultant overhead gases are scrubbed and vented. The reaction mixture is heated at 100-105 C. for 4 hours, cooled to 85 C., treated with 88% formic acid at 85-95 C. over a 20 minute period, further heated at 85-95 C. for 0.5 hour, cooled to 0 C., stirred for 0.5 hour and filtered. The filtercake is washed with acetone to give 5-methyl-2,3-pyridinedicarboxylic acid, 13.6 g (78.3% yield), 98.8% purity by HPLC analysis.
58.6%	With formic acid; nitric acid; In dichloromethane;	A) A solution of 3-methyl-8-hydroxyquinoline (15.9 g, 0.10 mole) in methylene chloride is added to 70% nitric acid (126 g, 1.8 mole) at a temperature of 80-100 C. over a 1 hour period with stirring. The resulting overhead gases are scrubbed and vented. The reaction mixture is heated at 100-105 for 4 hours, cooled to 85 C., treated with 88% formic acid at 85-95 C. over a 20 minute period, further heated at 85-95 C. for 0.5 hour, cooled to 0, stirred for 1 hour and filtered. The filtercake is washed with acetone and dried to give 5-methyl-2,3-pyridinedicarboxylic acid, 10.6 g (58.6% yield), 97.4% pure by HPLC analysis.

Reference： [1]Patent: US5371229,1994,A
[2]Patent: US5371229,1994,A
[3]Journal of the Chemical Society,1956,p. 4433,4437
[4]Synthesis,1989,p. 880 - 882

2
[ 53636-65-0 ]
[ 101259-16-9 ]

Reference： [1]Journal of the Chemical Society,1956,p. 4433,4437

3
[ 612-58-8 ]
[ 53636-65-0 ]

Reference： [1]Synthesis,1989,p. 880 - 882

4
[ 20668-26-2 ]
[ 53636-65-0 ]

Reference： [1]Synthesis,1989,p. 880 - 882

Yield	Reaction Conditions	Operation in experiment
78.6%		B) Using essentially the same procedure and decreasing the amount of nitric acid to 15.6 molar equivalents, 5-methyl-2,3-pyridinedicarboxylic acid is obtained in 78.6% yield and 98% purity.
73.2%		C) Using procedure A described above and reducing the amount of Manganese dioxide employed to 0.005 molar equivalents, 5-methyl-2,3-pyridinedicarboxylic acid is obtained in 73.2% yield and 98.5% purity.
59.1%		B) Using essentially the same procedure and employing 2.6 mole nitric acid, 5-methyl-2,3-pyridinedicarboxylic acid is obtained 10.7 g (59.1% yield), 98% purity by HPLC analysis.

Then, the above described ester 95 g was added dropwise to 330 g of 20% sodium hydroxide aqueous solution at 80-90 C. over a period of 30 minutes and the mixture was refluxed for 30 minutes to hydrolyze. Ethanol thus produced was removed in vacuo. Water 177 ml was added thereto, and pH was adjusted to 4 with 63% sulfuric acid at 40-45 C. and treated with active carbon, which was separated by filteration and the filtrate was treated with 63% sulfuric acid. Crystals thus precipitated were filtered, washed with 50 ml of water and dried in vacuo to obtain 62 g of 5-methylpyridine-2,3-dicarboxylic acid.

6
[ 612-58-8 ]
[ 7732-18-5 ]
permanganate [ No CAS ]
[ 3222-49-9 ]
[ 53636-65-0 ]

Reference： [1]Chemische Berichte,1933,vol. 66,p. 1338,1341, 1342

7
[ 53636-65-0 ]
5-methylpyridine-2,3-dicarboxylic anhydride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; acetic anhydride; In 1,2-dimethoxyethane;	EXAMPLE 44 Preparation of 5-chloromethyl-2,3-pyridinedicarboxylic acid anhydride STR107 A solution of 75.0 g (0.41 m) of <strong>[53636-65-0]5-methyl-2,3-pyridinedicarboxylic acid</strong> in 500 mL of 1,2-dimethoxyethane is treated with 125 g acetic anhydride (1.2 m) and 81 g pyridine (1.02 m). The resulting solution is stirred for 18 hours at room temperature. The solution is stripped in vacuo to leave 70.3 g (100%) of <strong>[53636-65-0]5-methyl-2,3-pyridinedicarboxylic acid</strong> anhydride.
	With alpha-picoline; acetic anhydride; In toluene; at 90℃; for 8h;	(3) 0.512 mol of dry <strong>[53636-65-0]5-methylpyridine-2,3-dicarboxylic acid</strong>, 0.563 mol of acetic anhydride and 10 10 mol of toluene were added.0.025 mol of 2-methylpyridine, warmed to 90 C,After 8 hours of reaction, the reaction was completed to obtain 5-methylpyridine-2,3-dicarboxylic anhydride;

Reference： [1]Patent: US5334576,1994,A
[2]Patent: CN109467548,2019,A .Location in patent: Paragraph 0042; 0045

8
[ 53636-65-0 ]
cis-3-methyl-piperidinopyrrolidine dihydrobromide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%		EXAMPLE 4 Preparation of cis-3-methyl-piperidinopyrrolidine dihydrobromide According to the same method as i), ii), iii), iv), v) and vi) of Example 3, 28.1 g of <strong>[53636-65-0]5-methyl-2,3-dicarboxypyridine</strong> was used to give 8.88 g of the above title compound (total yield: 30%).

Reference： [1]Patent: US5770597,1998,A

9
[ 112110-16-4 ]
[ 53636-65-0 ]

Yield	Reaction Conditions	Operation in experiment
	With phosphoric acid; In methanol; water;	EXAMPLE 3 Preparation of 5-Methyl-2,3-pyridinedicarboxylic acid using phosphoric acid A stirred mixture of 5-methyl-2,3-pyridinedicarboxylic acid dimethyl ester (20.9 g, 0.1 mol), phosphoric acid (29.4 g, 0.3 mol) and water (60 g, 3.3 mol) is heated at 70 to 110 C. A mixture of methanol and water is continuously distilled from the reaction mixture and heating is continued until the reaction is complete by chromatographic analysis. The mixture is cooled to room temperature and the title product is allowed to precipitate. The title product is isolated by filtration, washed with water (30 mL) and dried in vacuo. The title product is identified by 1 H-NMR and mass spectroscopy and analyzed by high pressure liquid chromatography to be >97% pure.
	With hydrogenchloride; In methanol; water;	EXAMPLE 4 Preparation of 5-Methyl-2,3-pyridinedicarboxylic acid using hydrochloric acid A stirred mixture of 5-methyl-2,3-pyridinedicarboxylic acid dimethyl ester (20.9 g, 0.1 mol), hydrochloric acid (18.2 g, 0.5 mol) and water (72 g) is heated at 70 to 110 C. A mixture of methanol and water and hydrochloric acid is continuously distilled from the reaction mixture and heating is continued until the reaction is complete by chromatographic analysis. The reaction mixture is concentrated in vacuo and diluted with water. The title product is isolated by filtration, washed with water (30 mL) and dried in vacuo. The title product is identified by 1 H-NMR and mass spectroscopy and analyzed by high pressure liquid chromatography to be >96% pure.
	With hydrogen bromide; In methanol; water;	EXAMPLE 5 Preparation of 5-Methyl-2,3-pyridinedicarboxylic acid using hydrobromic acid A stirred mixture of 5-methyl-2,3-pyridinedicarboxylic acid dimethyl ester (20.9 g, 0.1 mol), hydrobromic acid (40.5 g, 0.5 mol) and water (50 g) is heated at 70 to 110 C. A mixture of methanol, water and hydrobromic acid is continuously distilled from the reaction mixture and heating is continued until the reaction is completed by chromatographic analysis. The mixture is concentrated in vacuo and diluted with water. The title product is isolated by filtration, washed with water (30 mL) and dried in vacuo. The title product is identified by 1 H-NMR and mass spectroscopy and analyzed by high pressure liquid chromatography to be >96% pure.

With sodium hydroxide; In isopropyl alcohol; at 70℃; for 2.5h;

(2) To a solution of 5-methylpyridine-2,3-dicarboxylate in isopropanol, a previously prepared solution of isopropanol prepared from 4 mol of sodium hydroxide and 8 mol of isopropanol was added.The reaction was maintained at 70 C for 2.5 hours to obtain a suspension liquid, and the reaction was completed. The temperature was controlled at 80 C, and 496 g of 36% hydrochloric acid was added to the obtained suspension liquid.Filtration and drying to obtain 5-methylpyridine-2,3-dicarboxylic acid;The filtrate obtained by the step (2) filtration can be further used for the step (1) after being recovered.The product prepared using the recovered filtrate has the same results as the product prepared for the first used solution;

Reference： [1]Patent: US5122608,1992,A
[2]Patent: US5122608,1992,A
[3]Patent: US5122608,1992,A
[4]Patent: CN109467548,2019,A .Location in patent: Paragraph 0042; 0044

10
aqueous potassium hydroxide [ No CAS ]
hydrochloride salt of 8-hydroxy-3-methylquinoline [ No CAS ]
[ 53636-65-0 ]

Yield	Reaction Conditions	Operation in experiment
	With dihydrogen peroxide; In water;	EXAMPLE 12 Preparation of 5-methyl-pyridinedicarboxylic acid with potassium hydroxide and hydrogen peroxide Hydrogen peroxide (30% w/w, 92.7 g, 0.818 mols) is added over a 1.5 hour period to a stirred mixture of 26.4% aqueous potassium hydroxide (145.6 g, 0.665 mols) and 3-methyl-8-hydroxyquinoline hydrochloride (20.00 g, 0.102 mols) at 75 C. to 800 C. maintaining the temperature at 75 C. to 80 C. The reaction solution is then held at 75 C. to 80 C. for two hours and then heated at 90 C. to 95 C. for one hour. The reaction mixture is cooled at 35 C., and hydrochloric acid is added until a pH of 1.8 to 1.6 is obtained. The resulting slurry is stirred one hour at 20 C., filtered, washed with 30 mL of water and air dried for 12 hours to provide 14.6 g (purity 96.1%) of the title product as an off white to light yellow solid.
	With dihydrogen peroxide; In water;	EXAMPLE 12 Preparation of 5-methyl-pyridinedicarboxylic acid with potassium hydroxide and hydrogen peroxide Hydrogen peroxide (30% w/w, 92.7g, 0.818 mols) is added over a 1.5 hour period to a stirred mixture of 26.4% aqueous potassium hydroxide (145.6 g, 0.665 mols) and 3-methyl-8-hydroxyquinoline hydrochloride (20.00 g, 0.102 mols) at 75C to 80C maintaining the temperature at 75C to 80C. The reaction solution is then held at 75C to 80C for two hours and then heated at 90C to 95C for one hour. The reaction mixture is cooled to 35C, and hydrochloric acid is added until a pH of 1.8 to 1.6 is obtained. The resulting slurry is stirred one hour at 20C, filtered, washed with 30 mL of water and air dried for 12 hours to provide 14.6 g (purity 96.1%) of the title product as an off white to light yellow solid.

Reference： [1]Patent: US4816588,1989,A
[2]Patent: EP259687,1991,B1

11
hydrochloride salt of 8-hydroxy-3-methylquinoline [ No CAS ]
[ 53636-65-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; sodium hypochlorite; dihydrogen peroxide; In water;	EXAMPLE 2 Preparation of 5-methylpyridine-2,3-dicarboxylic acid via hydrogen peroxide and sodium hypochlorite A stirred mixture of 50% sodium hydroxide (52.0 g, 0.65 mole) and 3-methyl-8-hydroxyquinoline hydrochloride (19.6 g, 0.10 mole) in 153 mL water is heated to 80 and treated with 30% hydrogen peroxide (159.0 g, 14 mole) over a two hour period. The reaction temperature is maintained at 80-85 during the addition, then held at 80-85 for one additional hour. After cooling to 65 (pH 11.6), the reaction solution is treated with 15% sodium hypochlorite (50.0 g, 0.10 mole) and heated at 70 for one hour. After cooling the reaction to 40, the pH is adjusted to 1.7 with 37% hydrochloric acid (4.5 mL) and is further cooled at 20 for one hour. The reaction mixture is filtered and the filter cake is dried at 60 in vacuo to provide 10.8 g of product as an off-white solid.

Reference： [1]Patent: EP331899,1989,A2

12
[ 104098-48-8 ]
5-methylpyridine-2,3-dicarboxylic anhydride [ No CAS ]
[ 53636-65-0 ]
[ 957786-00-4 ]
C₁₀H₁₀N₂O₂ [ No CAS ]
[ 957786-04-8 ]
[ 957786-05-9 ]
(E)-5-methyl-2-((3-methylbut-2-en-2-ylimino)methyl)nicotinic acid [ No CAS ]
[ 957786-01-5 ]
[ 53636-27-4 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2007,vol. 55,p. 9936 - 9943

13
[ 53636-65-0 ]
diethyl 5-(methoxymethyl)-2,3-pyridinedicarboxylate [ No CAS ]

Reference： [1]Patent: CN105732492,2016,A

14
[ 53636-65-0 ]
5-bromomethylpyridine-2,3-dicarboxylic acid diethyl ester [ No CAS ]

Reference： [1]Patent: CN105732492,2016,A

15
[ 53636-65-0 ]
[(5,6-dicarboxy-3-pyridyl)methyl]triethylamine ammonium bromide diethyl ester [ No CAS ]

Reference： [1]Patent: CN105732492,2016,A

16
[ 53636-65-0 ]
[ 64-17-5 ]
[ 105151-48-2 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; at 110℃; for 1h;	First, the three-necked flask fitted with a thermometer and 500mL reflux apparatus was charged with 300mL of absolute ethanol at 600r / min stirring speed, the three-necked flask equipped with absolute ethanol to 2mL / min of concentrated sulfuric acid was added at a rate 10mL98% , three-neck flask until the temperature of the solution was cooled to room temperature, three necked flask was again 1.80g5- methylpyridine-2,3-dicarboxylic acid, and then three-necked flask was heated in an oil bath, so that temperature control three-necked flask in a solution 110 deg.] C, the reaction incubated 1h, the reaction was followed by thin layer chromatography until the solution does not contain <strong>[53636-65-0]5-methyl-pyridine-2,3-dicarboxylic acid</strong>, the reaction was completed, to give 5-methyl-pyridine-2,3-dicarboxylate ethyl ester solution; To the above solution was added 1.8gN--bromosuccinimide, the reaction 1h, the reaction was followed by thin layer chromatography until the reaction mixture no longer containing 5-methyl-2,3-dicarboxylic acid diethyl ester, the reaction end, was contained5-bromomethylPyridine-2,3-dicarboxylic acid diethyl ester in the solution; Containing the above-mentioned 5-bromomethyl-2,3-dicarboxylic acid diethyl ester in a solution of 10mL / min was added 50mL of triethylamine, ice-water bath to control the temperature of the solution at 0 deg.] C, the reaction 30min, to give5-bromoMethyl triethylammoniumPyridine-2,3-dicarboxylic acid diethyl ester solution was added again and 40mLCH3OH 5mL5mol / LNaOH, the reaction 1h, the reaction was followed by thin layer chromatography, the reaction was ended containing 5-methoxy-methyl-2,3 a mixed solution of diethyl; To contain5-methoxyMethylpyridine-2,3-dicarboxylic acid diethyl esterThe mixed solution was added 100mL of saturated sodium carbonate solution, shaken 3 times with 1000mL pear-shaped separating funnel for separation, the separated organic phase was washed with petroleum ether and ethyl acetate in a volume ratio of petroleum ether: ethyl acetate = 1 : 10 through the column, thin-layer chromatography to trace, to obtain a solution containing 5-methoxy-2,3-dicarboxylic acid methyl ester, the methyl-containing 5-methoxy-2,3- diethylcarbamate the solution by rotary evaporation to give a white solid,5-methoxyMethylpyridine-2,3-dicarboxylic acid diethyl ester.

Reference： [1]Patent: CN105732492,2016,A .Location in patent: Paragraph 0008

17
lanthanum(III) nitrate hexahydrate [ No CAS ]
[ 53636-65-0 ]
3C₈H₅NO₄^(2-)*2La⁽³⁺⁾*5H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
Ca. 40%		A mixture of H2mpda (0.0363 g, 0.2mmol), NaOH (0.0160 g,0.4mmol) and La(NO3)36H2O (0.1735 g, 0.4mmol) in distilledwater (10mL) were stirred for 30min. Then, the mixture washeated in a sealed vial at 150 C for 4 days. The colorless blockcrystals 1 suitable for X-ray analysis were collected (Yield, ca.40% based on La). Anal. Calcd for C24H25La2N3O17: C, 31.84;H, 2.78; N, 4.64. Found (%): C, 31.73; H, 2.82; N, 4.62.

Reference： [1]Inorganic and Nano-Metal Chemistry,2018,vol. 48,p. 323 - 328

18
[ 53636-65-0 ]
praseodymium(III) nitrate hexahydrate [ No CAS ]
3C₈H₅NO₄^(2-)*2Pr⁽³⁺⁾*5H₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50%		An aqueous mixture of H2mpda (0.0361 g, 0.2 mmol),Pr(NO3)36H2O (0.1742 g, 0.4 mmol), NaOH (0.0160 g, 0.4 mmol) was dissolved in 10mL of distilled water andstirred for 30 min. The resulting mixture was heated in asealed vial at 150 C for 4 days. After cooling, green plateletcrystals 2 were obtained in 50% yield based on Pr. Anal.Calcd for C24H25Pr2N3O17: C, 31.70; H, 2.77; N, 4.62. Found(%): C, 31.65; H, 2.65; N, 4.58.

Reference： [1]Inorganic and Nano-Metal Chemistry,2018,vol. 48,p. 323 - 328

19
[ 53636-65-0 ]
2-[(1-cyano-1,2-dimethylpropyl)carbamoyl]-5-methylnicotinic acid [ No CAS ]

Reference： [1]Patent: CN109467548,2019,A

20
[ 53636-65-0 ]
[ 104098-48-8 ]

Reference： [1]Patent: CN109467548,2019,A

21
[ 105151-48-2 ]
[ 53636-65-0 ]

Yield	Reaction Conditions	Operation in experiment
75 g	With sodium hydroxide; In water; at 20 - 80℃; for 5h;	147 g (1.1 mol) of a 30% aqueous sodium hydroxide solution was added dropwise to a mixed solution of ethyl 5-methylpyridine-2,3-dicarboxylate 122 g (0.5 mol) and 50 g of water at room temperature, and added in 2 hours. The temperature was raised to 80 C, and the mixture was stirred for 3 hours, and the reaction was completed. At this time, the concentration of the 5-methylpyridine-2,3-dicarboxylate sodium salt of the reaction solution was 35%, and the temperature was lowered to 40 C. Slowly add 30% sulfuric acid to the reaction solution, add 3h, adjust the pH to 1.5, filter, filter cake with 50g water rinse, filter cake to get 5-methyl-2,3-pyridinedicarboxylic acid 75.0 g, content 98.5%, yield 82%. There was obtained 418 g of a filtrate in which the content of 5-methyl-2,3-pyridinedicarboxylic acid was 7.0%, and the filtrate volume was 350 ml

Reference： [1]Patent: CN109384714,2019,A .Location in patent: Paragraph 0161-0163

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P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 53636-65-0 ] {[proInfo.proName]}

Quality Control of [ 53636-65-0 ]

Related Doc. of [ 53636-65-0 ]

Product Details of [ 53636-65-0 ]

Calculated chemistry of [ 53636-65-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 53636-65-0 ]

Application In Synthesis of [ 53636-65-0 ]

[ 53636-65-0 ] Synthesis Path-Upstream 1~5

[ 53636-65-0 ] Synthesis Path-Downstream 1~21

Related Functional Groups of [ 53636-65-0 ]

Carboxylic Acids

Related Parent Nucleus of [ 53636-65-0 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 53636-65-0 ]

Related Parent Nucleus of
[ 53636-65-0 ]