ChemicalBook--->CAS DataBase List--->137977-97-0

137977-97-0

137977-97-0 Structure

137977-97-0 Structure
IdentificationBack Directory
[Name]

1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
[CAS]

137977-97-0
[Synonyms]

Tolvaptan Impurity 10
Tolvaptan Intermediate 3
1-(4-amino-2-methylbenzoyl)-7-chloro-3,4-dihydro-2H-1-benzazepin-5-one
1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
1-(4-aMino-2-Methylbenzoyl)-7-chloro-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
1,2,3,4-Tetrahydro-1-(4-amino-2-methylbenzoyl)-7-chloro-5H-1-benzazepin-5-one
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-benzazepine-5-One
1-(4-amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one
5H-1-Benzazepin-5-one, 1-(4-aMino-2-Methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C18H17ClN2O2
[MDL Number]

MFCD19440799
[MOL File]

137977-97-0.mol
[Molecular Weight]

328.79
Chemical PropertiesBack Directory
[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
[InChIKey]

FLJCJPKXJWRZJB-UHFFFAOYSA-N
[SMILES]

N1(C(=O)C2=CC=C(N)C=C2C)C2=CC=C(Cl)C=C2C(=O)CCC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P280
Hazard InformationBack Directory
[Uses]

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.
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