Alternatived Products of [ 2510-27-2 ]
Product Details of [ 2510-27-2 ]
CAS No. : 2510-27-2
MDL No. : MFCD05864546
Formula :
C7 H9 NO3
Boiling Point : -
Linear Structure Formula : -
InChI Key : ZEONKMXUCHNYRN-UHFFFAOYSA-N
M.W : 155.15 Pubchem ID : 2063338
Synonyms :
Calculated chemistry of [ 2510-27-2 ]
Physicochemical Properties
Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.43
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.98
TPSA : 63.33 Ų
Pharmacokinetics
GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.8 cm/s
Lipophilicity
Log Po/w (iLOGP) : 1.22
Log Po/w (XLOGP3) : 0.63
Log Po/w (WLOGP) : 0.92
Log Po/w (MLOGP) : 0.06
Log Po/w (SILICOS-IT) : 1.37
Consensus Log Po/w : 0.84
Druglikeness
Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56
Water Solubility
Log S (ESOL) : -1.4
Solubility : 6.13 mg/ml ; 0.0395 mol/l
Class : Very soluble
Log S (Ali) : -1.53
Solubility : 4.53 mg/ml ; 0.0292 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.78
Solubility : 2.59 mg/ml ; 0.0167 mol/l
Class : Soluble
Medicinal Chemistry
PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.75
Application In Synthesis of [ 2510-27-2 ]
* 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 [ 2510-27-2 ]
1
[ 113618-89-6 ]
[ 2510-27-2 ]
Reference：
[1]Journal of Medicinal Chemistry,2014,vol. 57,p. 2773 - 2788
[2]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1901,vol. 132,p. 698
Annales de Chimie (Cachan, France),1902,vol. <7> 26,p. 313
2
[ 6066-82-6 ]
[ 2510-27-2 ]
N-<(3,5-dimethylisoxazol-4-yl)-acetoxy>-succinimide
[ No CAS ]
3
[ 2510-27-2 ]
[ 37059-79-3 ]
diphenylmethyl 7β-(3,5-dimethylisoxazol-4-yl-acetamido)-3-<(2-methylthiadiazol-5-yl)-thiomethyl>-ceph-3-em-4-carboxylate
[ No CAS ]
4
[ 2510-27-2 ]
[ 53090-86-1 ]
diphenylmethyl 7β-(3,5-dimethylisoxazol-4-yl-acetamido)-3-<(1-methyltetrazol-5-yl)-thiomethyl>-ceph-3-em-4-carboxylate
[ No CAS ]
5
[ 2510-27-2 ]
[ 144102-13-6 ]
Yield Reaction Conditions Operation in experiment
With oxalyl dichloride;N,N-dimethyl-formamide; In 1,2-dichloro-ethane; at 20℃; for 1.0h;
Example 9 2-(1-{4-[2-(3,5-Dimethyl-isoxazol-4-yl)-acetylamino]-2-fluoro-phenyl}-piperidin-4-yl)-N,N-diethyl-2-phenyl-acetamide; A mixture of <strong>[2510-27-2](3,5-dimethyl-isoxazol-4-yl)-acetic acid</strong> (1.0 mmol) and DMF (0.050 mL) in DCE (10 mL) was treated with (COCl)2 (10 mmol), dropwise. The mixture was stirred at rt for 1 h and was concentrated.
6
[ 2510-27-2 ]
[ 15205-11-5 ]
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide
[ No CAS ]
Yield Reaction Conditions Operation in experiment
With N-ethylmorpholine;; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 22℃; for 18.0h;
Example 1 lambda/-[(2-Chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-4- isoxazolyl)acetamide (E1 ); (3,5-Dimethyl-4-isoxazolyl)acetic acid (0.100 g, 0.64 mmol, purchased from commercial sources) was dissolved in anhydrous dimethylformamide (3 ml) and to this was added water soluble carbodiimide (0.148 g, 0.773 mmol), 1- hydroxybenzotriazole (0.104 g, 0.77 mmol), N-ethyl morpholine (0.246 ml, 1.93 mmol), and [(2-chloro-4-fluorophenyl)methyl]amine (0.1 17 g). The mixture was stirred at room temperature (22C) for 18 hrs and then evaporated to give the crude product. The crude material was purified by mass-directed automated HPLC to give pure lambda/-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide (0.135 g) as a white solid. LC/MS [M+H]+ = 297, retention time = 2.46 minutes.
7
1-(2-bromo-4-fluorophenyl)methan-1-amine
[ No CAS ]
[ 2510-27-2 ]
N-[(2-bromo-4-fluorophenyl)methyl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide
[ No CAS ]
Yield Reaction Conditions Operation in experiment
With N-ethylmorpholine;; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20℃; for 5.0h;
Example 2 lambda/-[(2-Bromo-4-fluorophenyl)methyl]-2-(3,5-dimethyl-4- isoxazolyl)acetamide (E2); (3,5-Dimethyl-4-isoxazolyl)acetic acid (0.051 g, 0.33 mmol) was dissolved in dichloromethane (4 ml) and to this was added water soluble carbodiimide (0.059 g, 0.31 mmol), 1-hydroxybenzotriazole (0.041 g, 0.31 mmol), N-ethyl morpholine (0.156 ml, 1.24 mmol), and [(2-bromo-4-fluorophenyl)methyl]amine (0.075 g, 0.31 mmol). The mixture was stirred at room temperature for 5 hrs and then the mixture was washed sequentially with saturated aqueous sodium hydrogen carbonate and 2N aqueous hydrogen chloride. The organic layer was filtered through a hydrophobic frit and evaporated to give the crude product. The crude material was purified by mass- directed automated HPLC to give pure lambda/-[(2-bromo-4-fluorophenyl)methyl]-2-(3,5- <n="18"/>dimethyl-4-isoxazolyl)acetamide (0.061 g) as a white solid. LC/MS [M+H]+ = 341 , retention time = 2.57 minutes.
8
[ 2510-27-2 ]
7β-(3,5-dimethylisoxazol-4-yl-acetamido)-3-<(1-methyltetrazol-5-yl)-thiomethyl>-ceph-3-em-4-carboxylic acid
[ No CAS ]
Reference：
[1]Chemistry of Heterocyclic Compounds,1998,vol. 34,p. 1296 - 1307
[2]Chemistry of Heterocyclic Compounds,1998,vol. 34,p. 1296 - 1307
[3]Acta Chimica Hungarica,1992,vol. 129,p. 87 - 94
[4]Acta Chimica Hungarica,1992,vol. 129,p. 87 - 94
[5]Acta Chimica Hungarica,1992,vol. 129,p. 87 - 94
9
[ 2510-27-2 ]
7β-(3,5-dimethylisoxazol-4-yl-acetamido)-3-<(2-methylthiadiazol-5-yl)-thiomethyl>-ceph-3-em-4-carboxylic acid
[ No CAS ]
Yield Reaction Conditions Operation in experiment
51%
With hydrazine hydrate; In methanol; at 20℃; for 3.0h;
General procedure: Ester Hydrolysis To a solution of the ester (1.0 eq.) in methanol (1.4 mL mmol"1) was added hydrazine monohydrate (1.5 eq.) and the reaction stirred at room temperature for 3 h. Reaction mixture was concentrated under reduced pressure, yielding carboxylic acid without further purification.
11
[ 123-54-6 ]
[ 2510-27-2 ]
12
[ 2510-27-2 ]
[ 1443209-30-0 ]
[ 1443209-37-7 ]
13
[ 18835-02-4 ]
[ 2510-27-2 ]
14
[ 2510-27-2 ]
C26 H30 N4 O5 S
[ No CAS ]
15
[ 2510-27-2 ]
[ 1443208-91-0 ]
16
[ 13984-53-7 ]
[ 2510-27-2 ]
17
[ 154928-90-2 ]
[ 2510-27-2 ]
18
[ 2510-27-2 ]
C9 H17 N3 O2
[ No CAS ]
C16 H24 N4 O4
[ No CAS ]
19
[ 2510-27-2 ]
3-[1-(azetidin-3-ylsulfonyl)-4-piperidyl]furo[3,2-b]pyridine hydrochloride
[ No CAS ]
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-furo[3,2-b]pyridin-3-ylpiperidin-1-yl)sulfonylazetidin-1-yl]ethanone
[ No CAS ]
Yield Reaction Conditions Operation in experiment
15 mg
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 1.0h;
To the solution of 3-[l -(azetidin-3 -yl sulfonyl)-4-piperidyl] furo [3 ,2-b]pyridinehydrochloride salt (35.8 mg, 1 equiv.) and <strong>[2510-27-2]2-(3,5-dimethylisoxazol-4-yl)acetic acid</strong> (17.1 mg, 1.1 equiv.) in DMF (1.0 mL) DIPEA (57.4 1iL, 3.3 equiv.) was added, followed by HATU (41.8 mg, 1.1 equiv.), and the resulting solution was stirred at RT. After one hour, reaction mixture was diluted with EtOAc (10 mL), transferred to a separatory funnelcontaining distilled water and extracted with EtOAc (3 x 100 mL). The combined organic extracts were dried over Na2SO4, filtered, and solvent was removed in vacuo. The crude product was purified by preparative TLC eluting with 10% MeOHIEtOAc to afford the expected product (15 mg). LCMS: MW (calcd): 458.53; MS (ES, m/z): 459.7 [M+H].
20
[ 2510-27-2 ]
[ 40217-17-2 ]
(R)-4-benzyl-3-(2-(3,5-dimethylisoxazol-4-yl)acetyl)oxazolidin-2-one
[ No CAS ]
21
[ 2510-27-2 ]
(2R)-2-amino-N-(cyanomethyl)-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-propanamide
[ No CAS ]
C21 H27 N7 O5 S
[ No CAS ]
Yield Reaction Conditions Operation in experiment
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 50℃;
Reference：
[1]Schade, Markus; Merla, Beatrix; Lesch, Bernhard; Wagener, Markus; Timmermanns, Simone; Pletinckx, Katrien; Hertrampf, Torsten
[Journal of Medicinal Chemistry, 2020, vol. 63, # 20, p. 11801 - 11808]
22
[ 2510-27-2 ]
(2S)-2-amino-N-(cyanomethyl)-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-propanamide
[ No CAS ]
C21 H27 N7 O5 S
[ No CAS ]
Yield Reaction Conditions Operation in experiment
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 50℃;
Reference：
[1]Schade, Markus; Merla, Beatrix; Lesch, Bernhard; Wagener, Markus; Timmermanns, Simone; Pletinckx, Katrien; Hertrampf, Torsten
[Journal of Medicinal Chemistry, 2020, vol. 63, # 20, p. 11801 - 11808]
23
[ 2510-27-2 ]
1-(4-fluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
24
[ 2510-27-2 ]
1-(2,4-difluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
25
[ 2510-27-2 ]
1-(2,5-difluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
26
[ 2510-27-2 ]
1-(3,4-difluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
27
[ 2510-27-2 ]
1-(2-chlorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
28
[ 2510-27-2 ]
1-(3-chlorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
29
[ 2510-27-2 ]
1-(4-chlorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
30
[ 2510-27-2 ]
1-(2,4-dichlorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
31
[ 2510-27-2 ]
1-(2,5-dichlorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
32
[ 2510-27-2 ]
1-(3,4-dichlorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
33
[ 2510-27-2 ]
1-(2-chloro-4-fluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
34
[ 2510-27-2 ]
1-(2-chloro-5-fluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
35
[ 2510-27-2 ]
1-(3-chloro-4-fluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
36
[ 2510-27-2 ]
1-(3-bromobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
37
[ 2510-27-2 ]
1-(4-bromobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
38
[ 2510-27-2 ]
1-(3-cyanobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
39
[ 2510-27-2 ]
1-(4-cyanobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
40
[ 2510-27-2 ]
1-(2-trifluoromethylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
41
[ 2510-27-2 ]
1-(3-trifluoromethylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
42
[ 2510-27-2 ]
1-(4-trifluoromethylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
43
[ 2510-27-2 ]
1-((6-chloropyridin-3-yl)methyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
44
[ 2510-27-2 ]
1-(4-tert-butylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
45
[ 2510-27-2 ]
1-(2-methylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
46
[ 2510-27-2 ]
1-(3-methylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
47
[ 2510-27-2 ]
1-(4-methylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
48
[ 2510-27-2 ]
1-(2,5-dimethylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
49
[ 2510-27-2 ]
1-benzyl-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
50
[ 2510-27-2 ]
2-(3,5-dimethylisoxazol-4-yl)malonic acid
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 3 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
51
[ 2510-27-2 ]
1-((2-chlorothiazol-5-yl)methyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
52
[ 2510-27-2 ]
2-(3,5-dimethylisoxazol-4-yl)malonyl dichloride
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 4 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
Multi-step reaction with 4 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
53
[ 2510-27-2 ]
1-((2-chlorothiazol-5-yl)methyl)-3-(3,5-dimethylisoxazol-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
54
[ 2510-27-2 ]
C10 H13 NO5
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 2 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
55
[ 2510-27-2 ]
1-(2-fluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
56
[ 2510-27-2 ]
1-(3-fluorobenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane
5: triethylamine / dichloromethane / 20 °C
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
57
[ 67-56-1 ]
[ 2510-27-2 ]
methyl 2-(3,5-dimethylisoxazol-4-yl)acetate
[ No CAS ]
Yield Reaction Conditions Operation in experiment
98.22%
With sulfuric acid Reflux;
1.1 (1) Preparation of methyl 2-(3,5-dimethylisoxazol-4-yl)acetate:
Add 2-(3,5-dimethylisoxazol-4-yl)acetic acid (17.05g, 110mmol) and anhydrous methanol (100mL) into a 250mL three-necked round bottom flask, add 5 drops of concentrated sulfuric acid, heat up to reflux After the reaction for 6-10 hours, after the reaction was completed, the solvent was concentrated, 100 mL of water was added, extracted with ethyl acetate (3×60 mL), the organic phases were combined, dried over anhydrous sodium sulfate, and the solvent was spin-dried to obtain 18.3 g of a colorless liquid with a yield of 98.22 g %.
98.22%
With sulfuric acid Reflux;
1.1 (1) Preparation of methyl 2-(3,5-dimethylisoxazol-4-yl)acetate:
Add 2-(3,5-dimethylisoxazol-4-yl)acetic acid (17.05g, 110mmol) and anhydrous methanol (100mL) into a 250mL three-necked round bottom flask, add 5 drops of concentrated sulfuric acid, heat up to reflux After the reaction for 6-10 hours, after the reaction was completed, the solvent was concentrated, 100 mL of water was added, extracted with ethyl acetate (3×60 mL), the organic phases were combined, dried over anhydrous sodium sulfate, and the solvent was spin-dried to obtain 18.3 g of a colorless liquid with a yield of 98.22 g %.
58
[ 2510-27-2 ]
1-(3,4-dimethylbenzyl)-3-(3,5-dimethylisoxazol-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidinium inner salt
[ No CAS ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 5 steps
1: sulfuric acid / Reflux
2: sodium hydride / Reflux
3: sodium hydroxide; water / ethanol / 20 °C
4: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 20 °C
5: triethylamine / dichloromethane / 20 °C
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