3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER
- Product Name
- 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER
- CAS No.
- 212322-56-0
- Chemical Name
- 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER
- Synonyms
- Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate;Ethyl N-[3-aMino-4-(MethylaMino)benzoyl]-N-pyridin-2-yl-beta-alaninate;β-Alanine, N-[3-aMino-4-(MethylaMino)benzoyl]-N-2-pyridinyl-, ethyl ester;route1 intermediate3;Dabigatran iMpurity P;Dabigatran Impurity n;Dabigatran Impurity 17;Dabigatran InterMediate;Dabigatran Intermediate 1;Dabigatran Intermediate F
- CBNumber
- CB31010276
- Molecular Formula
- C18H22N4O3
- Formula Weight
- 342.4
- MOL File
- 212322-56-0.mol
3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER Property
- 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.
- under inert gas (nitrogen or Argon) at 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℃
Safety
- HS Code
- 2933.39.9200
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- E1033
- Product name
- Ethyl 3-[3-Amino-4-(methylamino)-N-(2-pyridyl)benzamido]propionate
- Purity
- >98.0%(HPLC)(T)
- Packaging
- 1g
- Price
- $26
- Updated
- 2025/07/31
- Product number
- E1033
- Product name
- Ethyl 3-[3-Amino-4-(methylamino)-N-(2-pyridyl)benzamido]propionate
- Purity
- >98.0%(HPLC)(T)
- Packaging
- 5g
- Price
- $86
- Updated
- 2025/07/31
- Product number
- A611990
- Product name
- N-[3-Amino-4-(methylamino)benzoyl]-N-2-pyridinyl-β-alanineEthylEster
- Packaging
- 50g
- Price
- $250
- Updated
- 2021/12/16
- Product number
- X1036
- Product name
- Ethyl3-(3-Amino-4-(methylamino)-N-(pyridin-2yl)benzamido)propanoate
- Packaging
- 100g
- Price
- $274
- Updated
- 2021/12/16
- Product number
- APN0002370
- Product name
- 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)PYRIDINE-2-YL-AMINO]PROPIONIC ACID ETHYL-ESTER
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $457.38
- Updated
- 2021/12/16
3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER Chemical Properties,Usage,Production
Uses
Alzheimer's disease therapeutic, Co Q10 analog, antioxidant
Uses
Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate is the impurity of Dabigatran (D100090), which is a nonpeptide, direct thrombin inhibitor and is antithrombotic.
Synthesis
429659-01-8
212322-56-0
(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
3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER Preparation Products And Raw materials
Raw materials
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View Lastest Price from 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER manufacturers
- Product
- 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER 212322-56-0
- Price
- US $0.00-0.00/KG
- Min. Order
- 0.0001KG
- Purity
- 99%
- Supply Ability
- 2000000T
- Release date
- 2025-06-16
- Product
- Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate 212322-56-0
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-08
- Product
- 3-[(3-Amino-4-methylaminobenzoyl)pyridin-2-ylamino]propionic acid ethyl ester 212322-56-0
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1000kg
- Release date
- 2024-12-05