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111821-05-7

(S)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER is an ester derivative of (S)-octahydroindole-2-carboxylic acid, belonging to the class of organic compounds known as alkaloids and derivatives. It features a tert-butyl ester group attached to the carboxyl group, and is recognized for its potential in the pharmaceutical industry as an intermediate in the synthesis of various drugs, including antipsychotic and antihypertensive medications.

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  • 111821-05-7 Structure

  • Basic information

    1. Product Name: (S)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
    2. Synonyms: (S)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;(2S,3aR,7aR)-tert-butyl octahydro-1H-indole-2-carboxylate;(2S)-tert-Butyl octahydro-1H-indole-2-carboxylate;1H-Indole-2-carboxylic acid, octahydro-, 1,1-diMethylethyl ester, [2S-(2a,3aa,7aa)]-;(2S, 3aS,7aS)-Octahydro-indole-2-carboxylic acid tert-butyl ester;1H-Indole-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, [2S-(2.alpha.,3a.alpha.,7a.alpha.)]- (9CI)
    3. CAS NO:111821-05-7
    4. Molecular Formula: C13H23NO2
    5. Molecular Weight: 225.33
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 111821-05-7.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER(111821-05-7)
    11. EPA Substance Registry System: (S)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER(111821-05-7)

  • 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: 111821-05-7(Hazardous Substances Data)

111821-05-7 Usage

Uses

Used in Pharmaceutical Industry:
(S)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a chemical intermediate for the synthesis of various drugs, particularly antipsychotic and antihypertensive medications, due to its unique chemical structure and reactivity.
Used in Research and Development:
In the field of organic chemistry and drug discovery, (S)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER is utilized for its potential in the development of new pharmaceuticals, contributing to the advancement of therapeutic properties and innovative drug formulations.

Check Digit Verification of cas no

The CAS Registry Mumber 111821-05-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,8,2 and 1 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 111821-05:
(8*1)+(7*1)+(6*1)+(5*8)+(4*2)+(3*1)+(2*0)+(1*5)=77
77 % 10 = 7
So 111821-05-7 is a valid CAS Registry Number.

111821-05-7SDS

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 tert-butyl (2S)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate

1.2 Other means of identification

Product number -
Other names (S)-Octahydroindole-2-carboxylic acid tert-butyl ester

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:111821-05-7 SDS

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