1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
- CAS NO.：137977-97-0
- Empirical Formula: C18H17ClN2O2
- Molecular Weight: 328.79
- MDL number: MFCD19440799
- EINECS: 1592732-453-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-01-16 18:32:12
What is 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one?
The Uses of 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one is an intermediate used in the synthetic preparation of Tolvaptan (T536650), a selective nonpeptide arginine vasopressin V 2 receptor antagonist.
The Uses of 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
1,2,3,4-Tetrahydro-1-(4-amino-2-methylbenzoyl)-7-chloro-5H-1-benzazepin-5-one is an intermediate used in the synthetic preparation of Tolvaptan (T536650), a selective nonpeptide arginine vasopressin V2 receptor antagonist.
Properties of 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
| Melting point: | 186-189°C |
| Boiling point: | 565.4±50.0 °C(Predicted) |
| Density | 1.320 |
| storage temp. | -20°C Freezer |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 2.28±0.10(Predicted) |
| color | Off-White to Pale Yellow |
| InChI | InChI=1S/C18H17ClN2O2/c1-11-9-13(20)5-6-14(11)18(23)21-8-2-3-17(22)15-10-12(19)4-7-16(15)21/h4-7,9-10H,2-3,8,20H2,1H3 |
Safety information for 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
| InChIKey | FLJCJPKXJWRZJB-UHFFFAOYSA-N |
| SMILES | N1(C(=O)C2=CC=C(N)C=C2C)C2=CC=C(Cl)C=C2C(=O)CCC1 |
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