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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-,1,1-dimethylethyl ester, (3S)-

O=C(OC(C)(C)C)CN1C(=O)[C@@H](N)CCc2c1cccc2 Request for Quotation
Chemical Name: 1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-,1,1-dimethylethyl ester, (3S)-
CAS Number: 109010-60-8
Product Number: AG003UIY(AGN-PC-0OZ2E7)
Synonyms:
MDL No: MFCD03426719
Molecular Formula: C16H22N2O3
Molecular Weight: 290.3575

Identification/Properties

Properties
MP:
115-116°C
BP:
483.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
DMSO: ~34 mg/mL, soluble
Computed Properties
Molecular Weight:
290.363g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
290.163g/mol
Monoisotopic Mass:
290.163g/mol
Topological Polar Surface Area:
72.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
403
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


(S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate is a valuable compound used in chemical synthesis due to its unique properties and reactivity. This compound serves as a key building block in the creation of novel pharmaceuticals, agrochemicals, and materials. Its chiral nature makes it particularly important in asymmetric synthesis, where the stereochemistry of the molecule greatly influences the outcome of reactions. By incorporating (S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate into the synthesis of complex molecules, chemists can access a diverse range of structurally diverse compounds with specific biological or physical properties. This compound's versatility and utility make it a valuable tool in the hands of chemists seeking to push the boundaries of modern synthetic chemistry.