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HomeProduct name list1-(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

  • 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: 2024-08-12 17:17:06
1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one Structural

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)
ghs
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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