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7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one

7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one Structure
CAS No.
137982-91-3
Chemical Name:
7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
Synonyms
1H-benzo[b]azepine;Tovaptan impurity 32;Tovaptan impurity 12;Tolvaptan Impurity 12;Tolvaptan InterMediates;7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1...;7-chloro-1-(2-methyl-4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one;7-chloro-1-(2-Methyl-4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one;7-Chloro-5-oxo-1-(2-methyl-4-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-benzazepine;7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one
CBNumber:
CB32500622
Molecular Formula:
C18H15ClN2O4
Molecular Weight:
358.78
MOL File:
137982-91-3.mol
Modify Date:
2024/8/12 17:17:06

7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one Properties

Melting point 152 - 155°C
Boiling point 573.3±50.0 °C(Predicted)
Density 1.387
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
form Solid
pka -2.58±0.20(Predicted)
color White to Off-White
InChI InChI=1S/C18H15ClN2O4/c1-11-9-13(21(24)25)5-6-14(11)18(23)20-8-2-3-17(22)15-10-12(19)4-7-16(15)20/h4-7,9-10H,2-3,8H2,1H3
InChIKey NNCRQBJNAGEBDM-UHFFFAOYSA-N
SMILES N1(C(=O)C2=CC=C([N+]([O-])=O)C=C2C)C2=CC=C(Cl)C=C2C(=O)CCC1

SAFETY

Risk and Safety Statements

7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one Chemical Properties,Uses,Production

Uses

7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one is an intermediate in synthesizing Tolvaptan-d7 (T536652), a labelled Tolvaptan (T536650). It is a selective, competitive arginine vasopressin V2 receptor antagonist used to treat hyponatremia (low blood sodium levels) associated with congestive heart failure, cirrhosis, and the syndrome of inappropriate antidiuretic hormone (SIADH).

7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one Preparation Products And Raw materials

Raw materials

Preparation Products

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7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one Tolvaptan InterMediates 7-chloro-1-(2-Methyl-4-nitrobenzoyl)-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one 7-Chloro-1,2,3,4-Tetrahydro-1-(2-Methyl-4-Nitrobenzoyl)-5H-1-Benzazepine-5-One 7-chloro-1-(2-methyl-4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one 7-chloro-1-(2-methyl-4-nitrobenzoyl)-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one Tolvaptan Impurity 12 5H-1-Benzazepin-5-one, 7-chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)- 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one CAS 7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1... 1H-benzo[b]azepine 7- chloro -1,2,3,4- tetrahydro -1-(2- methyl -4- nitrobenzoyl) -5H-1- benzoazepine -5- one * Tovaptan impurity 32 Tovaptan impurity 12 7-chloro-1-(2-methyl-4-(2-methylbenzamido)benzoyl)-2,3-dihydro-1H-benzo[b]azepin-5-yl 2-methylbenzoate 7-Chloro-5-oxo-1-(2-methyl-4-nitrobenzoyl)-2,3,4,5-tetrahydro-1H-benzazepine 137982-91-3 Pharmaceutical Intermediates