| Identification | Back Directory | [Name]
3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER | [CAS]
212322-56-0 | [Synonyms]
route1 intermediate3
Dabigatran iMpurity P
Dabigatran Impurity n
Dabigatran InterMediate
Dabigatran Intermediate 1
Dabigatran Methylamino Impurity
Dabigatran Etexilate Intermediate 1
Dabigatran Etexilate Mesylate impurity P
3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMI
Ethyl 3-[3-Amino-4-(methylamino)-N-(2-pyridyl)benzamido]propionate
N- [4- methyl 3-amino-benzoyl] N-2- pyridyl -b- alanine ethyl ester
N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-β-Alanine,ethylester
Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate
Ethyl 3-(4-(MethylaMino)-3-aMino-N-(pyridin-2-yl)benzaMido)-propanoate
Ethyl N-[3-aMino-4-(MethylaMino)benzoyl]-N-pyridin-2-yl-beta-alaninate
N-[3-aMino-4-(MethylaMino)benzoyl]-N-2-pyridinyl-, ethyl ester Alanine
3-N-[4-(Methylamino)-3-aminobenzoyl]-N-2-pyridinyl-alanine ethyl ester
ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
Ethyl 3-[[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino]propionate
Ethyl 3-[3-Amino-4-(methylamino)-N-(2-pyridyl)benzamido]propionate
β-Alanine, N-[3-aMino-4-(MethylaMino)benzoyl]-N-2-pyridinyl-, ethyl ester
3-(3-AMINO-4-MethylAMINOBENZYL) PYRIDIN-2-YL-AMINO) PROPIONIC ACID ETHYL ESTER
3-[3-aMino-4-(MethylaMinobenzoyl)-pyridin-2-ylaMni]
propionic acid ethyl ester
3-amino-4-methylamino-benzoic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide
3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER
Ethyl 3-{1-[3-aMino-4-(MethylaMino)-phenyl]-N-(pyridin-2-yl)-forMaMido}-propanoate
ethyl (2S)-2-{1-[3-aMino-4-(MethylaMino)phenyl]-N-(pyridin-2-yl)forMaMido}propanoate
RE-EXP.OF REJECTED GOODS) 3-((3-AMINO-4-METHYLAMINOBENZOYL)PYRIDIN-2-YLAMINO) PROPIONIC ACID ETHYL ESTER | [EINECS(EC#)]
1806241-263-5 | [Molecular Formula]
C18H22N4O3 | [MDL Number]
MFCD09833624 | [MOL File]
212322-56-0.mol | [Molecular Weight]
342.392 |
| Chemical Properties | Back Directory | [Melting point ]
104.0 to 108.0 °C | [Boiling point ]
576.2±50.0 °C(Predicted) | [density ]
1.261±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
5.37±0.11(Predicted) | [color ]
Off-White to Pale Beige | [InChI]
InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3 | [InChIKey]
PCPATNZTKBOKOY-UHFFFAOYSA-N | [SMILES]
N(C1N=CC=CC=1)(CCC(=O)OCC)C(C1C=CC(NC)=C(N)C=1)=O | [LogP]
1.37 at 20℃ |
| Hazard Information | Back Directory | [Uses]
Alzheimer's disease therapeutic, Co Q10 analog, antioxidant | [Synthesis]
(D) Preparation of Intermediate VI: In a hydrogenation reactor, 43 g of ethyl 3-(4-(methylamino)-3-nitro-N-(pyridin-2-yl)benzoylamino)propionate and 4.7 g of nickel Nguyenne catalyst were added. 4 mL of tetrahydrofuran was added as solvent and three nitrogen substitutions were performed to remove air. The reaction mixture was then stirred under hydrogen atmosphere and heated to 60°C. The reaction process was monitored by thin layer chromatography (TLC). After completion of the reaction, a filtration operation was carried out and the filter cake was washed with a small amount of tetrahydrofuran. The filter cake was recovered and disposed properly. The filtrate was dried over anhydrous sodium sulfate, diafiltrated again and finally concentrated to dryness under reduced pressure to give 38.3 g of intermediate VI (6) in 96% yield. | [References]
[1] Patent: CN104031031, 2017, B. Location in patent: Paragraph 0028; 0033; 0035; 0040; 0042; 0047
[2] Patent: WO2007/71742, 2007, A1. Location in patent: Page/Page column 22-23
[3] Patent: WO2007/71743, 2007, A1. Location in patent: Page/Page column 18
[4] Patent: CN105461688, 2016, A. Location in patent: Paragraph 0043; 0044
[5] Patent: WO2007/71742, 2007, A1. Location in patent: Page/Page column 22 |
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