| Identification | Back Directory | [Name]
n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide | [CAS]
848133-76-6 | [Synonyms]
Neratinib Intermediate 2
N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)
4-chloro-3-cyano-7-ethoxy-6-N-acetylquinoline
N-(4-CHLORO-3-CYANO-7-ETHOXY-6-QUINOLINYL) ACETAMI
4-Chloro-3-cyano-7-ethoxy-6-(acetylamino)quinoline
N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetaMide
n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide
4-Chloro-3-cyano-7-ethoxy-6-(N-acetylamino)quinoline
N-(4-CHLORO-3-CYANO-7-ETHOXYQUINOLINE-6-YL)ACETAMIDE
6-Acetamido-4-chloro-7-ethoxyquinoline-3-carbonitrile
Acetamide, N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl)-
N-(4-chloro-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl)acetamide
n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide(848133-76-6)
n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide ISO 9001：2015 REACH | [EINECS(EC#)]
1592732-453-0 | [Molecular Formula]
C14H12ClN3O2 | [MDL Number]
MFCD09263704 | [MOL File]
848133-76-6.mol | [Molecular Weight]
289.717 |
| Questions And Answer | Back Directory | [Synthesis]
The carbonyl precursor of n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide (61 g, 0.22 mol) and N,N-dimethylpyridine (0.85 g, 5 mol%) were suspended in ethyl acetate (565 mL). The mixture was stirred at room temperature. Triphosphine oxychloride (60 mL, 0.65 mol) was slowly added to the mixture over 1 hour. The mixture was heated under reflux for 2 hours to obtain a clear solution, and then cooled to room temperature. The reaction solution was slowly poured into ice water (900 mL) and stirred for 1 hour. The resulting solid was washed with water (80 mL x 2) and dried. The crude product (60 g) was suspended in DMF (180 mL) and stirred at room temperature for 1 hour. The solid was filtered, and the filtrate was washed with ethyl acetate (39 mL x 3). The product was dried at 50 °C to obtain the target product n-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide. 
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| Chemical Properties | Back Directory | [Melting point ]
250°C(lit.) | [Boiling point ]
518.6±45.0 °C(Predicted) | [density ]
1.35±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly, Heated) | [form ]
Solid | [pka]
13.13±0.43(Predicted) | [color ]
Light Yellow | [InChI]
InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19) | [InChIKey]
XDXGFTCQRAQEEG-UHFFFAOYSA-N | [SMILES]
C(NC1=C(OCC)C=C2C(=C1)C(Cl)=C(C#N)C=N2)(=O)C |
| Hazard Information | Back Directory | [Chemical Properties]
yellow powder | [Uses]
N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide is used in synthesis of an antitumor agent, neratinib (N390090). |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [WGK Germany ]
WGK 3 | [HS Code ]
2933.49.7000 | [REACH Registrations]
Active | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
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| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
| Company Name: |
skychemical Co.Ltd
|
| Telephone: |
021-20958197 20965099 |
| Website: |
www.skychemical.com |
|