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(3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is a chemical compound that belongs to the class of organic compounds known as tetrahydroisoquinolines. It features a 1-azabicyclo[2.2.2]octane skeleton, which is a core structure for a variety of biologically active compounds. (3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is a synthetic building block used in the development of pharmaceutical drugs and serves as a research reagent in chemical and biological studies. Its unique structure makes it a valuable tool in drug discovery, with potential applications in the treatment of various diseases and disorders.

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  • 137036-54-5 Structure
  • Basic information

    1. Product Name: (3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
    2. Synonyms: (3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one;(S)-3-aMino-2,3,4,5-tetrahydro-1H-benzazepin-2-one;2H-1-Benzazepin-2-one, 3-aMino-1,3,4,5-tetrahydro-, (3S)-;(S)-3-amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one;(S)-3-Amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
    3. CAS NO:137036-54-5
    4. Molecular Formula: C10H12N2O
    5. Molecular Weight: 176.22
    6. EINECS: N/A
    7. Product Categories: PHARMACEUTICAL INTERMEDIATES
    8. Mol File: 137036-54-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 377.524°C at 760 mmHg
    3. Flash Point: 182.12°C
    4. Appearance: /
    5. Density: 1.144g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.563
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one(137036-54-5)
    12. EPA Substance Registry System: (3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one(137036-54-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 137036-54-5(Hazardous Substances Data)

137036-54-5 Usage

Uses

Used in Pharmaceutical Development:
(3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is used as a synthetic building block for the development of pharmaceutical drugs. Its unique cyclic structure allows for the creation of new compounds with potential therapeutic effects, contributing to the advancement of medicine.
Used in Chemical and Biological Research:
As a research reagent, (3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is utilized in chemical and biological studies to explore its properties and interactions with other molecules. This helps in understanding its potential role in various biological processes and its applicability in drug discovery.
Used in Drug Discovery:
(3S)-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is used as a valuable tool in drug discovery due to its potential applications in the treatment of various diseases and disorders. Its unique structure allows for the design and synthesis of new compounds with therapeutic potential, aiding in the development of novel treatments for unmet medical needs.

Check Digit Verification of cas no

The CAS Registry Mumber 137036-54-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,7,0,3 and 6 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 137036-54:
(8*1)+(7*3)+(6*7)+(5*0)+(4*3)+(3*6)+(2*5)+(1*4)=115
115 % 10 = 5
So 137036-54-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)/t8-/m0/s1

137036-54-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (3S)-3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

1.2 Other means of identification

Product number -
Other names (S)-3-amino-2-(phenylmethyl)propanoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:137036-54-5 SDS

137036-54-5Relevant articles and documents

HETEROCYCLIC AMIDES AS KINASE INHIBITORS

-

, (2014/09/03)

Disclosed are compounds having the formula (I) wherein X, Y, Z1, Z2, Z3, Z4, R5, RA, m, A. L, and B are as defined herein, and methods of making and using the same.

Practical synthesis of (-)-α-aminobenzolactam via nitration-cyclization of L-homophenylalanine ethyl ester

Y.U., Luoting,Huang, Jiling,Chang, Ching-Yao,Yang, Teng-Kuei

, p. 323 - 330 (2008/02/09)

A practical synthesis of chiral (-)-α-aminobenzolactam (2) is described. The target compound (2) was prepared from commercially available L-homophenylalanine ethyl ester hydrochloride (LHPE-HCl 1) with a highly enantiomeric purity (>98% e.e.) by employing

Synthesis of optically active α-aminobenzolactam via an oxidative-cyclization reaction

Chang, Ching-Yao,Yang, Teng-Kuei

, p. 2081 - 2085 (2007/10/03)

A convergent pathway for the asymmetric synthesis of (-)-α-aminobenzolactam 1 is described. For the first time, the key intermediate N-methoxybenzolactam 8 was prepared from L-homophenylalanine ethyl ester hydrochloride (LHPE·HCl) 5 by employing an oxidat

Concise Synthesis of Enantiomerically Pure Phenylalanine, Homophenylalanine, and Bishomophenylalanine Derivatives Using Organozinc Chemistry: NMR Studies of Amino Acid-Derived Organozinc Reagents

Jackson, Richard F. W.,Moore, Rebecca J.,Dexter, Charles S.,Elliott, Jason,Mowbray, Charles E.

, p. 7875 - 7884 (2007/10/03)

Protected phenylalanines 23 (seven examples), homophenylalanines 7 (eight examples), and bishomophenylalanines 8 (seven examples) have been prepared by palladium-catalyzed coupling of the amino acid-derived organozinc reagents 13, 5, and 6, respectively, with aryl iodides. While the reactions of the zinc reagent 13 may be conducted in both THF and DMF as solvent, the results obtained in DMF are generally superior. In the case of the reagents 5 and 6 the results are far superior in DMF. NMR investigations on the structure of the zinc reagents 13 in THF suggest that there is strong intramolecular coordination of the urethane carbonyl group, whereas in DMF this interaction is completely suppressed.

An Efficient Asymmetric Synthesis of (R)-3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one

Armstrong, Joseph D. III,Eng, Kan K.,Keller, Jennifer L.,Purick, Robert M.,Hartner, Frederick W. Jr.,et al.

, p. 3239 - 3242 (2007/10/02)

Two approaches for the asymmetric preparation of (-)- or (+)-α-aminobenzlactam 1 are described.One route is based on the asymmetric hydrogenation of enamide 5 and the other on the racemization/resolution of (+/-)-1.

A novel 3-substituted benzazepinone growth hormone secretagogue (L- 692,429)

Schoen,Pisano,Prendergast,Wyvratt Jr.,Fisher,Cheng,Chan,Butler,Smith,Ball

, p. 897 - 906 (2007/10/02)

The 3-substituted benzazepinone, L-692,429 (compound 1), is the prototype compound of a novel class of compounds that stimulate release of growth hormone (GH). The molecule evolved from efforts to identify a non-peptide mimic of the growth hormone-releasing hexapeptide, GHRP-6. Compound 1 is prepared by sequential attachment of dimethyl-β-alanine and 2'- biphenylyltetrazole side chains to a chiral 3-aminobenzolactam nucleus. Comparison of the biological activity of 1 with the corresponding six- and eight-membered lactam analogs shows the seven-membered benzazepinone skeleton to be preferred. Molecular modeling of the structurally diverse GH secretagogues, L-692,429 and GHRP-6, was performed.

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