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CAS

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216576-74-8

4-Hexenoic acid, 3-(aminomethyl)-5-methyl-, also known as 4,5-Dehydropregabalin, is an impurity of the anticonvulsant drug Pregabalin. It is a pale beige solid with chemical properties that distinguish it from the main compound. As an impurity, it is important to monitor and control its presence in the manufacturing process to ensure the purity and efficacy of Pregabalin.

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  • 216576-74-8 Structure

  • Basic information

    1. Product Name: 4-Hexenoic acid, 3-(aminomethyl)-5-methyl-
    2. Synonyms: 4-Hexenoic acid, 3-(aminomethyl)-5-methyl-;3-(AMinoMethyl)-5-Methyl-4-hexenoic Acid;4,5-Dehydropregabalin;rac 4,5-Dehydro Pregabalin;Pregabalin Impurity M;4,5-Dehydro Pregabalin Formate
    3. CAS NO:216576-74-8
    4. Molecular Formula: C8H15NO2
    5. Molecular Weight: 157.21
    6. EINECS: N/A
    7. Product Categories: Amines, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
    8. Mol File: 216576-74-8.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 284.1±33.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.029±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
    8. Solubility: Methanol (Slightly, Heated, Sonicated), Water (Slightly)
    9. PKA: 4.35±0.10(Predicted)
    10. Stability: Hygroscopic
    11. CAS DataBase Reference: 4-Hexenoic acid, 3-(aminomethyl)-5-methyl-(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-Hexenoic acid, 3-(aminomethyl)-5-methyl-(216576-74-8)
    13. EPA Substance Registry System: 4-Hexenoic acid, 3-(aminomethyl)-5-methyl-(216576-74-8)

  • 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: 216576-74-8(Hazardous Substances Data)

216576-74-8 Usage

Uses

There are no specific applications mentioned for 4-Hexenoic acid, 3-(aminomethyl)-5-methylin the provided materials. However, it is an impurity in the production of Pregabalin, an anticonvulsant medication used to treat various conditions such as epilepsy, neuropathic pain, and generalized anxiety disorder. The control and monitoring of this impurity are crucial to maintain the quality and effectiveness of Pregabalin.

Check Digit Verification of cas no

The CAS Registry Mumber 216576-74-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,6,5,7 and 6 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 216576-74:
(8*2)+(7*1)+(6*6)+(5*5)+(4*7)+(3*6)+(2*7)+(1*4)=148
148 % 10 = 8
So 216576-74-8 is a valid CAS Registry Number.

216576-74-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name rac 4,5-Dehydro Pregabalin

1.2 Other means of identification

Product number -
Other names 3-(aminomethyl)-5-methylhex-4-enoic 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:216576-74-8 SDS

216576-74-8Downstream Products

216576-74-8Relevant articles and documents

PREGABALIN -4-ELIMINATE, PREGABALIN 5-ELIMINATE, THEIR USE AS REFERENCE MARKER AND STANDARD, AND METHOD TO PRODUCE PREGABALIN CONTAINING LOW LEVELS THEREOF

-

Page/Page column 19-21, (2009/05/30)

The present invention provides 3- (aminomethyl)-5-methylhex-4-enoic acid (Pregabalin- 4-eliminate or PRG-4E) and 3- (aminomethyl)-5-methylhex-5-enoic acid (Pregabalin-5-eliminate or PRG-5E), and their uses as reference markers and standards for determining the purity of Pregabalin. The invention also provides a method to produce Pregabalin containing low levels of these impurities.

General synthesis of 3-substituted alkenyl GABA as potential anticonvulsants

Serfass, Lucile,Casara, Patrick J.

, p. 2599 - 2602 (2007/10/03)

Stereospecific synthesis of cis and trans 3-substituted vinyl-γ- aminobutyric acid analogs were obtained by either a Claisen rearrangement or a Witrig reaction from common diene precursors.

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