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37711-24-3

3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid ethyl ester is a chemical compound with the molecular formula C14H19NO3. It is an ethyl ester derivative of indole-2-carboxylic acid, a structure commonly found in various natural products and pharmaceuticals. 3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER is characterized by its unique molecular structure and properties, making it a valuable compound in medicinal chemistry and drug development. However, it is important to handle 3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER with care due to potential risks if not used properly.

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  • 1H-Indole-2-carboxylicacid, 4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-, ethyl ester

    Cas No: 37711-24-3

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  • ENAMINE Ltd.
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  • 37711-24-3 Structure

  • Basic information

    1. Product Name: 3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
    2. Synonyms: 1H-Indole-2-carboxylicacid, 4,5,6,7-tetrahydro-3,6,6-triMethyl-4-oxo-, ethyl ester;3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid ethyl ester;4-keto-3,6,6-trimethyl-5,7-dihydro-1H-indole-2-carboxylic acid ethyl ester;ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
    3. CAS NO:37711-24-3
    4. Molecular Formula: C14H19NO3
    5. Molecular Weight: 249.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 37711-24-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 422.6 °C at 760 mmHg
    3. Flash Point: 209.4 °C
    4. Appearance: /
    5. Density: 1.132g/cm3
    6. Vapor Pressure: 2.39E-07mmHg at 25°C
    7. Refractive Index: 1.531
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER(37711-24-3)
    12. EPA Substance Registry System: 3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER(37711-24-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 37711-24-3(Hazardous Substances Data)

37711-24-3 Usage

Uses

Used in Pharmaceutical Industry:
3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid ethyl ester is used as a key intermediate in the synthesis of drugs with indole-based structures. Its unique molecular structure and properties make it a valuable compound for the development of new pharmaceuticals with potential therapeutic applications.
Used in Medicinal Chemistry Research:
3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER is used as a research tool in medicinal chemistry to explore the structure-activity relationships of indole-based drugs. Its unique molecular features can provide insights into the design and optimization of new drug candidates with improved pharmacological properties.
Used in Drug Development:
3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid ethyl ester is used in drug development to create novel indole-based drug candidates with potential therapeutic benefits. Its unique molecular structure can be leveraged to develop drugs with enhanced efficacy, selectivity, and safety profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 37711-24-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,7,7,1 and 1 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 37711-24:
(7*3)+(6*7)+(5*7)+(4*1)+(3*1)+(2*2)+(1*4)=113
113 % 10 = 3
So 37711-24-3 is a valid CAS Registry Number.
InChI:InChI=1/C14H19NO3/c1-5-18-13(17)12-8(2)11-9(15-12)6-14(3,4)7-10(11)16/h15H,5-7H2,1-4H3

37711-24-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindole-2-carboxylate

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:37711-24-3 SDS

37711-24-3Relevant articles and documents

INHIBITORS OF METALLO-BETA-LACTAMASES

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Paragraph 00163; 00164, (2018/12/13)

The present invention relates to compounds of Formula (I) that function as inhibitors of bacterial metallo-beta-lactamases. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of a bacterial infection. (Formula (I))

Porphyrins with Exocyclic Rings. 1. Chemistry of 4,5,6,7-Tetrahydro-1H-indoles: Synthesis of Acetoxy Derivatives, Dihydroindoles, and Novel Porphyrins with Four Exocyclic Rings

Lash, Timothy D.,Bladel, Karla A.,Shiner, Craig M.,Zajeski, Donna L.,Balasubramaniam, Rajiv P.

, p. 4809 - 4820 (2007/10/02)

A variety of 4,5,6,7-tetrahydro-1H-indoles (THI's) and 4-oxo-4,5,6,7-tetrahydro-1-indoles (4-oxoTHI's) have been synthesized from cyclohexanone and 1,3-cyclohexanedione, respectively.The THI's reacted regioselectively with lead tetraacetate in acetic acid

Photochemical Heterocyclization of Functionalized Dienamines

Gelas-Mialhe, Yvonne,Mabiala, Gaston,Vessiere, Roger

, p. 5395 - 5400 (2007/10/02)

A series of functionalized dienamines were prepared by base-catalyzed isomerisation of N-vinylaziridines.Photochemical cyclization of these N-substituted dienamines yielded predominantly pyrroline derivatives.

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