5,6-Dehydropregabalin

Base Information

• Chemical Name: 5,6-Dehydropregabalin
• CAS No.: 1136478-30-2
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• Mol file: 1136478-30-2.mol

Synonyms:3-(AMinoMethyl)-5-Methyl-5-hexenoic Acid;5,6-Dehydropregabalin;rac 5,6-Dehydro Pregabalin;3-(aminomethyl)-5-methylhex-5-enoic acid

Chemical Property of 5,6-Dehydropregabalin

Chemical Property:

• Boiling Point: 287.3±28.0 °C(Predicted)
• PKA: 4.21±0.10(Predicted)
• PSA: 63.32000
• Density: 1.019±0.06 g/cm3(Predicted)
• LogP: 1.70250
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly, heated), Methanol (Slightly)

Purity/Quality:

95% ^*data from raw suppliers

rac5,6-DehydroPregabalin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5,6-Dehydropregabalin is an impurity of the anticonvulsant, Pregabalin (P704800).

Technology Process of 5,6-Dehydropregabalin

There total 2 articles about 5,6-Dehydropregabalin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid (181289-33-8) → 3-(aminomethyl)-5-methylhex-5-enoic acid (1136478-30-2,1141362-94-8) + (R,S)-3-iso-butyl-4-aminobutyric acid (128013-69-4,130912-52-6,148553-50-8,148553-51-9) + 3-(aminomethyl)-5-methylhex-4-enoic acid (216576-74-8)

Guidance literature:

(3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid; With sodium hydroxide; bromine; In water; at 5 - 35 ℃;

With sulfuric acid; In 2-methyl-propan-1-ol; water; at 35 ℃; pH=0.5 - 3;

With tributyl-amine; at 0 - 20 ℃; for 2 - 8h;

Reference yield:

(R,S)-3-iso-butyl-4-aminobutyric acid (128013-69-4,130912-52-6,148553-50-8,148553-51-9) → 3-(aminomethyl)-5-methylhex-5-enoic acid (1136478-30-2,1141362-94-8) + 3-(aminomethyl)-5-methylhex-4-enoic acid (216576-74-8)

Guidance literature:

(R,S)-3-iso-butyl-4-aminobutyric acid; With sodium hydroxide; bromine; In water; at 5 - 40 ℃; for 0.5h;

With sulfuric acid; In 2-methyl-propan-1-ol; water; at 30 - 33 ℃; pH=3;

With tributyl-amine; In 2-methyl-propan-1-ol; at 0 - 20 ℃; for 1h;

upstream raw materials:

(R,S)-3-iso-butyl-4-aminobutyric acid

(3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid

Refernces