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  • 130912-52-6 Structure
  • Basic information

    1. Product Name: 3-(Aminomethyl)-5-methylhexanoic acid
    2. Synonyms: 3-(Aminomethyl)-5-methylhexanoic acid;(+/-)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID 98.0%
    3. CAS NO:130912-52-6
    4. Molecular Formula: C8H17NO2
    5. Molecular Weight: 159.23
    6. EINECS: N/A
    7. Product Categories: intermidiate of Pregablin
    8. Mol File: 130912-52-6.mol
    9. Article Data: 47
  • Chemical Properties

    1. Melting Point: 148-150oC
    2. Boiling Point: 274 °C at 760 mmHg
    3. Flash Point: 119.5 °C
    4. Appearance: /
    5. Density: 0.997 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(Aminomethyl)-5-methylhexanoic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(Aminomethyl)-5-methylhexanoic acid(130912-52-6)
    11. EPA Substance Registry System: 3-(Aminomethyl)-5-methylhexanoic acid(130912-52-6)
  • 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: 130912-52-6(Hazardous Substances Data)

130912-52-6 Usage

Description

3-(Aminomethyl)-5-methylhexanoic acid, commonly known as Pregabalin, is a versatile chemical compound that serves as a medication with a wide range of applications. It is characterized by its chemical formula C8H17NO2 and is often marketed under the brand name Lyrica. Structurally, Pregabalin resembles the neurotransmitter GABA, although it does not interact with the same brain receptors. Its mechanism of action involves binding to a subunit of the voltage-dependent calcium channel in the central nervous system, which results in a reduction of the release of various neurotransmitters such as glutamate, norepinephrine, and substance P.

Uses

Used in Pharmaceutical Industry:
3-(Aminomethyl)-5-methylhexanoic acid is used as a therapeutic agent for the treatment of neurological conditions such as epilepsy, fibromyalgia, neuropathic pain, and generalized anxiety disorder. Its efficacy in these applications is attributed to its ability to modulate the release of neurotransmitters, thereby providing relief from symptoms associated with these disorders.
Used in Pain Management:
In the field of pain management, 3-(Aminomethyl)-5-methylhexanoic acid is utilized as an analgesic to alleviate neuropathic pain, which is a type of pain caused by damage or disease affecting the somatosensory system. Its mechanism of action helps in reducing the overactivity of pain signals in the nervous system, providing effective pain relief.
Used in Anxiety Treatment:
3-(Aminomethyl)-5-methylhexanoic acid is employed as an anxiolytic medication for the management of generalized anxiety disorder. By influencing the release of neurotransmitters involved in the regulation of anxiety, it helps in reducing the symptoms of excessive worry and fear, thus improving the quality of life for patients suffering from this condition.

Check Digit Verification of cas no

The CAS Registry Mumber 130912-52-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,0,9,1 and 2 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 130912-52:
(8*1)+(7*3)+(6*0)+(5*9)+(4*1)+(3*2)+(2*5)+(1*2)=96
96 % 10 = 6
So 130912-52-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H17NO2.H2O/c1-6(2)3-7(5-9)4-8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H2

130912-52-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(Aminomethyl)-5-methylhexanoic acid

1.2 Other means of identification

Product number -
Other names 3-isobutyl-GABA

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:130912-52-6 SDS

130912-52-6Relevant articles and documents

PROCESS FOR THE PREPARATION OF GAMMA AMINO BUTYRIC ACIDS AND ANALOGS THEREOF

-

, (2021/08/20)

The present invention relates to a process for the preparation of gamma aminobutyric acid derivatives of formula I, in particular pregabalin, baclofen and analogs thereof. Further, this process is comprised of preparation protocol for compounds of formula I, involving Michael addition and Beckmann rearrangement strategy.

Synthesis of (+/-)-Pregabalin and its novel lipophilic β-alkyl-substituted analogues from fatty chains

D'Oca, Caroline Da Ros Montes,Mass, Eduardo Bustos,Ongaratto, Renata Fontes,De Andrade, Arthur Motta,D'Oca, Marcelo G. Montes,Russowsky, Dennis

, p. 13230 - 13239 (2020/08/28)

In this work, were synthesized for the first time a series of new lipophilic β-alkyl substituted GABA derivatives from fatty alkyl chains. The synthesis of these GABA analogues was investigated by two different bicomponent approaches as a key step. The results showed low yields in the path from aliphatic nitroolefins and Meldrum's acid, whereas the Knoevenagel condensation between aliphatic aldehydes and Meldrum's acid afforded fatty alkylidenes in good yields (75-97%). These compounds were subsequently subjected to a conjugate addition reaction with nitromethane, resulting in the fatty Michael adducts (in 87-97% yields) which were in turn submitted to a one pot domino hydrolysis-decarboxylation, leading to the isolation of β-alkyl-substituted γ-nitro acids in good yields (78-92%). Finally, the reduction of the fatty γ-nitro acids allowed for the access to new lipophilic β-alkyl substituted GABA analogues, which were isolated in high yields (90-98%). The new methodology was also applied to the synthesis of antiepileptic drug (+/-)-Pregabalin, which was obtained after four steps in high overall yield. This journal is

Preparation method of pregabalin

-

, (2020/07/12)

The invention discloses a preparation method of pregabalin, and particularly discloses a synthesis method of pregabalin, and relates to a compound shown as a formula I shown in the specification.

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