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[ CAS No. 2602-36-0 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 2602-36-0
Chemical Structure| 2602-36-0
Chemical Structure| 2602-36-0
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Product Details of [ 2602-36-0 ]

CAS No. :2602-36-0 MDL No. :MFCD00023507
Formula : C9H9NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :WQFXJSOUBPGBGW-UHFFFAOYSA-N
M.W : 195.17 Pubchem ID :296010
Synonyms :

Calculated chemistry of [ 2602-36-0 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 48.09
TPSA : 87.49 Ų

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) : -6.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.89
Log Po/w (XLOGP3) : 0.71
Log Po/w (WLOGP) : 1.09
Log Po/w (MLOGP) : -0.82
Log Po/w (SILICOS-IT) : 1.06
Consensus Log Po/w : 0.59

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.68
Solubility : 4.05 mg/ml ; 0.0208 mol/l
Class : Very soluble
Log S (Ali) : -2.13
Solubility : 1.46 mg/ml ; 0.00749 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.55
Solubility : 5.49 mg/ml ; 0.0281 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.61

Safety of [ 2602-36-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:N/A
Hazard Statements:H302-H312-H332 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2602-36-0 ]

* 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.

  • Downstream synthetic route of [ 2602-36-0 ]

[ 2602-36-0 ] Synthesis Path-Downstream   1~56

  • 1
  • [ 3748-84-3 ]
  • 3,6-dimethyl-pyridine-2,5-dicarboxylic acid [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With potassium permanganate
  • 2
  • [ 2602-36-0 ]
  • [ 90322-70-6 ]
YieldReaction ConditionsOperation in experiment
With potassium permanganate
  • 3
  • [ 1149-23-1 ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With potassium hydroxide
Multi-step reaction with 2 steps 1: iron(III) chloride / water / 1 h / Reflux 2: sodium hydroxide / methanol
  • 5
  • [ 2602-36-0 ]
  • [ 33513-42-7 ]
  • [ 88752-79-8 ]
YieldReaction ConditionsOperation in experiment
88% With trichlorophosphate at 80 - 85℃; for 12h;
18% With trichlorophosphate
With trichlorophosphate at 80 - 85℃; for 12h;
  • 6
  • [ 3760-54-1 ]
  • [ 2602-36-0 ]
  • [ 263755-18-6 ]
YieldReaction ConditionsOperation in experiment
85% With trichlorophosphate at 80 - 85℃; for 12h;
With trichlorophosphate at 80 - 85℃; for 12h;
  • 7
  • [ 2591-86-8 ]
  • [ 2602-36-0 ]
  • 2,7-bis(4-chloropentyl)-1,8-dioxo-1,2,7,8-tetrahydro-2,7,10-triazaanthracene-4,5-dicarbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
100% With trichlorophosphate at 80 - 85℃; for 12h;
With trichlorophosphate at 80 - 85℃; for 12h;
  • 8
  • [ 617-84-5 ]
  • [ 2602-36-0 ]
  • 1,8-dioxo-2,7-diethyl-1,2,7,8-tetrahydro-2,7,10-triazaanthracene-4,5-dicarbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
46% With trichlorophosphate at 80 - 85℃; for 12h;
With trichlorophosphate at 80 - 85℃; for 12h;
  • 9
  • [ 2602-36-0 ]
  • [ 18889-09-3 ]
  • [ 263755-17-5 ]
YieldReaction ConditionsOperation in experiment
76% With trichlorophosphate at 80 - 85℃; for 12h;
With trichlorophosphate at 80 - 85℃; for 12h;
YieldReaction ConditionsOperation in experiment
Ethyl-5-carbamoyl-2,6-dimethyl-3-pyridincarboxalat, 10percentig. HCl;
Miniatin, wss. Ba(OH)2-Lsg., Dioxan;
  • 12
  • [ 2602-36-0 ]
  • [ 108-48-5 ]
YieldReaction ConditionsOperation in experiment
beim Erhitzen im Wasserstoffstrom;
  • 13
  • [ 2602-36-0 ]
  • [ 67-66-3 ]
  • [ 874483-75-7 ]
  • [ 55275-98-4 ]
YieldReaction ConditionsOperation in experiment
Behandeln des Additionsprodukts mit Anilin in Alkohol;
  • 14
  • [ 2602-36-0 ]
  • 2-methyl-6-(4-nitro-phenylazomethyl)-pyridine-3,5-dicarboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium acetate; acetic acid
  • 15
  • 3-ethoxycarbonyl-2,6-dimethylpyridine-5-carboxylic acid 2-benzoyl hydrazide [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 16
  • 3-ethoxycarbonyl-2,6-dimethylpyridine-5-carboxylic acid 2-(o-fluorobenzoyl) hydrazide [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 17
  • 5-[<i>N</i>'-(2-methoxy-benzoyl)-hydrazinocarbonyl]-2,6-dimethyl-nicotinic acid ethyl ester [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 18
  • 3-ethoxycarbonyl-2,6-dimethylpyridine-5-carboxylic acid 2-(m-nitrobenzoyl) hydrazide [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 19
  • 3-ethoxycarbonyl-2,6-dimethylpyridine-5-carboxylic acid 2-(p-nitrobenzoyl) hydrazide [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 20
  • 3-ethoxycarbonyl-2,6-dimethylpyridine-5-carboxylic acid 2-(p-tert-butylbenzoyl) hydrazide [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 21
  • 5-[<i>N</i>'-(biphenyl-4-carbonyl)-hydrazinocarbonyl]-2,6-dimethyl-nicotinic acid ethyl ester [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 22
  • 5-[<i>N</i>'-(2-chloro-4-nitro-benzoyl)-hydrazinocarbonyl]-2,6-dimethyl-nicotinic acid ethyl ester [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 23
  • C23H21N5O4 [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 24
  • C25H25N5O6 [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 25
  • C23H19F2N5O4 [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 26
  • C23H19N7O8 [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 27
  • C23H19N7O8 [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 28
  • C31H37N5O4 [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 29
  • C35H29N5O4 [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 30
  • C23H17Cl2N7O8 [ No CAS ]
  • [ 2602-36-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride Heating;
  • 31
  • [ 2602-36-0 ]
  • 6-methyl-pyridine-2,3,5-tricarboxylic acid trimethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: KMnO4 2: H2SO4
  • 32
  • [ 109-99-9 ]
  • [ 14220-64-5 ]
  • [ 2602-36-0 ]
  • trans-[PdCl2(2,6-dimethyl-pyridine-3,5-dicarboxylic acid)2]*2H2O*2THF [ No CAS ]
YieldReaction ConditionsOperation in experiment
96% In tetrahydrofuran to soln. 2,6-dimethyl-pyridine-3,5-dicarboxylic acid in THF was added (Pd(PhCN)2Cl2) and stirred for 24 h; soln. was concd., pentane was added, ppt. was filtered, washed with pentane and dried in vacuo; elem. anal.;
  • 33
  • [ 137846-38-9 ]
  • [ 2602-36-0 ]
  • [Pd(Ph2P(CH2)3PPh2)(2,6-dimethyl-pyridine-3,5-dicarboxylic acid)2](CF3SO3)2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
77% In tetrahydrofuran to mixt. (Pd(dppp)(SO3CF3)2) and 2,6-dimethyl-pyridine-3,5-dicarboxylic acid THF was added and stirred for 4 h; soln. was concd., pentane was added, ppt. was filtered, washed with pentane, and dried in vacuo; elem. anal.;
  • 34
  • [ 66-71-7 ]
  • [ 2602-36-0 ]
  • cadmium(II) nitrate hexahydrate [ No CAS ]
  • [Cd(2,6-dimethylpyridine-3,5-dicarboxylate)(1,10-penanthroline)]*H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% With Et3N In water High Pressure; mixt. of Cd and org. compds. in water heated in sealed reactor at 140°C for 72 h, cooled to room temp.; washed with EtOH; elem. anal.;
  • 35
  • [ 66-71-7 ]
  • [ 2602-36-0 ]
  • [ 7646-85-7 ]
  • [ 1002756-37-7 ]
YieldReaction ConditionsOperation in experiment
60% With Et3N In ethanol; water High Pressure; H2O and EtOH soln. cntg. carboxylic acid, 1,10-phenanthroline, ZnCl2 andEt3N; sealed in stainless steel container; heated at 393 K for 72 h; co oled to room temp.; washed with EtOH; elem. anal.;
  • 36
  • europium(III) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • Eu(III)[(μ2-H)(H(2,6-dimethylpyridine-3,5-dicarboxylate))2](H(2,6-dimethylpyridine-3,5-dicarboxylate))2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
51% With N,N-dimethylaniline In water; N,N-dimethyl-formamide High Pressure; mixing metal salt, ligand in DMF and H2O in the presence of N,N-dimethylaniline, sealing, heating to 65°C for 72 h, cooling to room temp.; filtration, washing crystals with ethanol, drying in air at room temp.; elem. anal.;
  • 37
  • cerium(III) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • Ce(III)[(μ2-H)(H(2,6-dimethylpyridine-3,5-dicarboxylate))2](H(2,6-dimethylpyridine-3,5-dicarboxylate))2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
34% With N,N-dimethylaniline In water; N,N-dimethyl-formamide High Pressure; mixing metal salt, ligand in DMF and H2O in the presence of N,N-dimethylaniline, sealing, heating to 65°C for 72 h, cooling to room temp.; filtration, washing crystals with ethanol, drying in air at room temp.; elem. anal.;
  • 38
  • [ 2602-36-0 ]
  • cadmium(II) nitrate hexahydrate [ No CAS ]
  • Cd(2,6-dimethylpyridine-3,5-dicarboxylate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% With triethyl amine In water High Pressure; aq. soln. of acid, Cd(NO3)2*6H2O and Et3N heated at 180°C in autoclave for 72 h; cooled to room temp., crystals washed with EtOH; elem. anal.;
  • 39
  • neodymium(III) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • Nd(III)[(μ2-H)(H(2,6-dimethylpyridine-3,5-dicarboxylate))2](H(2,6-dimethylpyridine-3,5-dicarboxylate))2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
46% With N,N-dimethylaniline In water; N,N-dimethyl-formamide High Pressure; mixing metal salt, ligand in DMF and H2O in the presence of N,N-dimethylaniline, sealing, heating to 65°C for 72 h, cooling to room temp.; filtration, washing crystals with ethanol, drying in air at room temp.; elem. anal.;
  • 40
  • zinc perchlorate [ No CAS ]
  • [ 2602-36-0 ]
  • [ 7732-18-5 ]
  • [Zn(2,6-dimethylpyridine-3,5-ducarboxylate)(H2O)4]*4H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
31% With 2,2'-bipyridine In water High Pressure; mixt. of Zn-salt, dicarboxylic acid, 2,2'-bipyridine and H2O heated at 160°C in Teflon reactor under autogenous pressure for 72 h, cooledto room temp. at ca. 0.5°C/min; elem. anal.;
  • 41
  • dysprosium((III) oxide [ No CAS ]
  • [ 2602-36-0 ]
  • [ 7732-18-5 ]
  • [Dy2(2,6-dimethylpyridine-3,5-dicarboxylate )3(H2O)2]·H2O}n [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% In water; dimethyl sulfoxide at 80℃; for 72h; Autoclave;
  • 42
  • dysprosium((III) oxide [ No CAS ]
  • [ 2602-36-0 ]
  • [ 7732-18-5 ]
  • [Dy2(2,6-dimethylpyridine-3,5-dicarboxylate )3(H2O)4]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
87% In water; dimethyl sulfoxide at 110℃; for 72h; Autoclave; High pressure;
  • 43
  • [ 55-22-1 ]
  • nickel(II) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • [ 64-17-5 ]
  • [(nickel(II))4(OH)2(isonicotinate)2(2,6-dimethylpyridine-3,5-dicarboxylate)2(H2O)3]*9H2O*3EtOH [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide In water at 170℃; for 60h; Autoclave;
  • 44
  • [ 553-26-4 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • [ 33513-42-7 ]
  • [Zn2(2,6-dimethylpyridine-3,5-dicarboxylate)2(4,4'-bipyridine)(N,N'-dimethylformamide)]·(N,N-dimethylformamide) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In acetonitrile at 20 - 105℃; for 78h; High pressure; (b) Synthesis of compound 1: Zn(NO3)2·6H2O (3.5 mg, 0.0118 mmol), 2,6-dimethylpyridine-3,5-dicarboxylic acid (3.7 mg, 0.01875 mmol), 4,4′-bipyridine (24 mg, 0.154 mmol), N,N′-dimethylformamide (1 mL) and acetonitrile (0.8 mL) were sealed in a 20 mL vial at 85 °C for 10 h, placed under room temperature for 20 h, and then heated to 105 °C for 48 h. After the reaction mixture was cooled to room temperature, and pale yellow rod-like crystals were obtained.
  • 45
  • terbium(III) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • C9H9NO4*3C9H8NO4(1-)*Tb(3+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water at 120℃; for 76h; High pressure; Autoclave;
  • 46
  • europium(III) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • C9H9NO4*3C9H8NO4(1-)*Eu(3+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water at 120℃; for 76h; High pressure; Autoclave;
  • 47
  • gadolinium(III) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • C9H9NO4*3C9H8NO4(1-)*Gd(3+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water at 120℃; for 76h; High pressure; Autoclave;
  • 48
  • [ 42333-78-8 ]
  • cobalt(II) nitrate hexahydrate [ No CAS ]
  • [ 2602-36-0 ]
  • [ 7732-18-5 ]
  • C9H7NO4(2-)*C18H12N6*H2O*Co(2+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone at 160℃; for 72h;
  • 49
  • [ 2602-36-0 ]
  • (1S,3S,4S,6R)-4-azido-3,7,7-trimethylbicyclo[4.1.0]heptan-3-yl-3-oxobutanoate [ No CAS ]
  • bis-{(3S)-4-azido-3,7,7-trimethylbicyclo[4.1.0]heptan-3-yl}-2,6-dimethylpyridine-3,5-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With formaldehyd; ammonium acetate In water at 20℃; for 24h; General Method for Synthesizing Symmetric Esters of Dimethylpyridine Dicarboxylic Acid. General procedure: Acetoacetic ester(1 mmol) was treated with an aqueous solution of formaldehyde (formalin, 40%, 0.5 mmol) and NH4OAc (5 mmol).The mixture was stirred at room temperature until the starting material disappeared. When the reaction was finished, themixture was diluted with CH2Cl2, washed with H2O, and dried. The residue was separated by preparative TLC on Silpearlsilica gel using C6H6-EtOAc (9:1).
  • 50
  • [ 2602-36-0 ]
  • (1S,3S,4S,6R)-4-azido-3,7,7-trimethylbicyclo[4.1.0]heptan-3-yl-3-oxobutanoate [ No CAS ]
  • C21H28N4O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With formaldehyd; ammonium acetate In water at 20℃; General Method for Synthesizing Asymmetric Esters of Dimethylpyridine Dicarboxylic Acid. General procedure: An equimolarmixture of acetoacetic ester, acetoacetic ester of a carane, and an aqueous formaldehyde solution (formalin, 40%) with NH4OAc(5 mmol) was stirred at room temperature until the reaction was finished, diluted with CH2Cl2, washed with H2O, and dried.The residue was separated by preparative TLC on Silpearl silica gel using C6H6-EtOAc (9:1).
  • 51
  • [ 2602-36-0 ]
  • ethyl 1-{(1R,3S,4S,6S)-4,7,7-trimethyl-4-(3-oxobutanoyloxy)bicyclo[4.1.0]heptan-3-yl}-1H-1,2,3-triazole-4-carboxylate [ No CAS ]
  • C39H51N7O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With formaldehyd; ammonium acetate In water at 20℃; General Method for Synthesizing Symmetric Esters of Dimethylpyridine Dicarboxylic Acid. General procedure: Acetoacetic ester(1 mmol) was treated with an aqueous solution of formaldehyde (formalin, 40%, 0.5 mmol) and NH4OAc (5 mmol).The mixture was stirred at room temperature until the starting material disappeared. When the reaction was finished, themixture was diluted with CH2Cl2, washed with H2O, and dried. The residue was separated by preparative TLC on Silpearlsilica gel using C6H6-EtOAc (9:1).
  • 52
  • [ 2602-36-0 ]
  • (1R,3R,4R,6S)-4-azido-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl-3-oxobutanoate [ No CAS ]
  • 3-(1R,3R,4R,6S)-4-azido-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl-5-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
49% With formaldehyd; ammonium acetate In water at 20℃; General Method for Synthesizing Asymmetric Esters of Dimethylpyridine Dicarboxylic Acid General procedure: An equimolarmixture of acetoacetic ester, acetoacetic ester of a carane, and an aqueous formaldehyde solution (formalin, 40%) with NH4OAc(5 mmol) was stirred at room temperature until the reaction was finished, diluted with CH2Cl2, washed with H2O, and dried.The residue was separated by preparative TLC on Silpearl silica gel using C6H6-EtOAc (9:1).
  • 53
  • [ 2602-36-0 ]
  • (1R,3R,4R,6S)-4-azido-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl-3-oxobutanoate [ No CAS ]
  • bis-{(1R,3R,4R,6S)-4-azido-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl}-2,6-dimethylpyridine-3,5-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% With formaldehyd; ammonium acetate at 20℃; General Method for Synthesizing Symmetric Esters of Dimethylpyridine Dicarboxylic Acid General procedure: Acetoacetic ester(1 mmol) was treated with an aqueous solution of formaldehyde (formalin, 40%, 0.5 mmol) and NH4OAc (5 mmol).The mixture was stirred at room temperature until the starting material disappeared. When the reaction was finished, themixture was diluted with CH2Cl2, washed with H2O, and dried. The residue was separated by preparative TLC on Silpearlsilica gel using C6H6-EtOAc (9:1).
  • 54
  • [ 2602-36-0 ]
  • C19H27N3O5 [ No CAS ]
  • 3,5-bis-(1R,3S,4S,6S)-4-{(4-ethoxycarbonyl-1H-1,2,3-triazol-1-yl)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl}-2,6-dimethylpyridine-3,5-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
38% With formaldehyd; ammonium acetate In water at 20℃; General Method for Synthesizing Symmetric Esters of Dimethylpyridine Dicarboxylic Acid General procedure: Acetoacetic ester(1 mmol) was treated with an aqueous solution of formaldehyde (formalin, 40%, 0.5 mmol) and NH4OAc (5 mmol).The mixture was stirred at room temperature until the starting material disappeared. When the reaction was finished, themixture was diluted with CH2Cl2, washed with H2O, and dried. The residue was separated by preparative TLC on Silpearlsilica gel using C6H6-EtOAc (9:1).
  • 55
  • [ 2602-36-0 ]
  • nickel(II) acetate dihydrate [ No CAS ]
  • lead(II) nitrate dihydrate [ No CAS ]
  • C9H7NO4(2-)*Ni(2+)*Pb(2+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% In water at 159.84℃; for 96h; Autoclave; High pressure; Synthesis of complexes 1 Complex 1 was synthesized by hydrothermal method in a25mL Teflon-lined autoclave by heating a mixture ofH2dpdc (0.1 mmol, 0.0195 g), Pb(NO3)22H2O (0.1 mmol,0.0360 g), Ni(OAc)22H2O (0.1 mmol, 0.0248 g), and deionized(8 mL) water at 433K for 4 days under autogenouspressure and then cooled to room temperature slowly. Geenblock-like crystals of 1 were collected by filtration and washed with distilled water in 79% yield (based on Ni-Pb).Anal. Calcd. (%) for C36 H32 N4 Ni4 O18 Pb2: C, 29.63; H,21.95; N, 38.41. Found (%): C, 29.62; H, 21.96; N, 38.44. IRdata (KBr, cm1): 1614(w), 1551(s), 1483(w), 1446(s),1385(vs), 1328(m), 1215(w), 1161(m), 1084(w), 1002(w),914(m), 886(m), 847(w), 743(w), 710(m), 661(m).
  • 56
  • [ 2602-36-0 ]
  • [ 2577-90-4 ]
  • C29H31N3O6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane; ethyl acetate at 20℃; Cooling with ice;
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Chemical Structure| 55314-30-2

[ 55314-30-2 ]

2,4-Dimethylpyridine-3-carboxylic acid

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Related Parent Nucleus of
[ 2602-36-0 ]

Pyridines

Chemical Structure| 13602-84-1

[ 13602-84-1 ]

2,6-Dimethylpyridine-3,4-dicarboxylic acid

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Chemical Structure| 5860-71-9

[ 5860-71-9 ]

2,6-Dimethylnicotinic acid

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Chemical Structure| 89942-70-1

[ 89942-70-1 ]

2-Methylpyridine-3,5-dicarboxylic acid

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Chemical Structure| 129477-22-1

[ 129477-22-1 ]

2,5-Dimethylnicotinic acid

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Chemical Structure| 55314-30-2

[ 55314-30-2 ]

2,4-Dimethylpyridine-3-carboxylic acid

Similarity: 0.96