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128013-69-4

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128013-69-4 Usage

Chemical Properties

White Powder

Uses

As a GABA analogue, 3-(Aminomethyl)-5-methylhexanoic acid can be used as an anticonvulsant. Controlled substance in the United States.

Check Digit Verification of cas no

The CAS Registry Mumber 128013-69-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,8,0,1 and 3 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 128013-69:
(8*1)+(7*2)+(6*8)+(5*0)+(4*1)+(3*3)+(2*6)+(1*9)=104
104 % 10 = 4
So 128013-69-4 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

128013-69-4SDS

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 3-(Aminomethyl)-5-methylhexanoic acid

1.2 Other means of identification

Product number -
Other names PREGABALIN

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:128013-69-4 SDS

128013-69-4Relevant articles and documents

A ring-closing metathesis approach for the synthesis of (±)-pregabalin

Bobade, Vivek D.,Mhaske, Pravin C.,Vadgaonkar, Kamlesh S.,Shelke, Shivaji H.

, p. 847 - 851 (2012)

Efficient utilization of a Mannich-type reaction and the ring-closing metathesis (RCM) approach that leads to a convenient synthesis of 3-(aminomethyl)-5-methylhexanoic acid (pregabalin) is described. Springer-Verlag 2011.

Synthesis of (±)-Pregabalin by Utilizing a Three-Step Sequential-Flow System with Heterogeneous Catalysts

Ishitani, Haruro,Kanai, Kan,Saito, Yuki,Tsubogo, Tetsu,Kobayashi, Shū

, p. 6491 - 6494 (2017)

(±)-Pregabalin, a γ-amino acid derivative, has been synthesized by utilizing flow methods. A three-step sequential-flow reaction starting from commercial isovaleraldehyde and methyl malonate proceeded smoothly with heterogeneous catalysts to afford the precursor of pregabalin in yields of 75–100 %, and a space-time yield of 52.2 g/L d was reached. In addition, a heterogeneous catalyst for the Knoevenagel reactions of aldehydes with malonates, which is the first step of the synthesis, has been developed. Pregabalin was finally obtained by acid-catalyzed hydrolysis of the precursor followed by neutralization.

Method for preparing 3-aminomethyl-5-methylcaproic acid

-

Paragraph 0023; 0028-0029; 0031-0032; 0035-0036; 0039, (2020/07/13)

The invention relates to a method for preparing 3-aminomethyl-5-methylcaproic acid, belonging to the technical field of chemistry. According to the preparation method, 3-methyl formate-5-methylhexanoic acid is used as a raw material, and the target product 3-aminomethyl-5-methylcaproic acid can be prepared through two steps of reactions including ammonia ester exchange and reduction. The method has the beneficial effects of simple process route, high product purity of 99.0% or above, less three wastes, no toxic agent, mild reaction conditions and low cost, and is suitable for industrial production.

Method for preparing pregabalin by photocatalysis (by machine translation)

-

, (2020/06/05)

The preparation method is characterized by comprising the 3S following -3 - steps:5 - 1) dissolving the compound I and a certain amount of alkali in an organic solvent, adding the compound II, heating the reaction, obtaining the compound III, 2) preparing the compound V; 3) preparing the compound V through deprotection, ring opening, chiral resolution, and recrystallization to obtain pregabalin. The preparation method comprises the following steps: 1) dissolving compound III, compound IV and photocatalyst in an organic solvent. The raw materials used in the invention are cheap and easily available, the reaction conditions of the photocatalytic oxidation method are mild, reagents are environmentally friendly, green and environment-friendly, and the method is an ideal industrial production process. (by machine translation)

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