4-Hexenoic acid, 3-(aminomethyl)-5-methyl-

Base Information

• Chemical Name: 4-Hexenoic acid, 3-(aminomethyl)-5-methyl-
• CAS No.: 216576-74-8
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• Mol file: 216576-74-8.mol

Synonyms:4-Hexenoic acid, 3-(aminomethyl)-5-methyl-

Chemical Property of 4-Hexenoic acid, 3-(aminomethyl)-5-methyl-

Chemical Property:

• Boiling Point: 284.1±33.0 °C(Predicted)
• PKA: 4.35±0.10(Predicted)
• PSA: 63.32000
• Density: 1.029±0.06 g/cm3(Predicted)
• LogP: 1.70250
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly, Heated, Sonicated), Water (Slightly)

Purity/Quality:

99%, ^*data from raw suppliers

rac4,5-DehydroPregabalin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4,5-Dehydropregabalin is an impurity of the anticonvulsant, Pregabalin (P704800).

Technology Process of 4-Hexenoic acid, 3-(aminomethyl)-5-methyl-

There total 7 articles about 4-Hexenoic acid, 3-(aminomethyl)-5-methyl- 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;

Reference yield:

C10H19NO2 (1136478-29-9) → 3-(aminomethyl)-5-methylhex-4-enoic acid (216576-74-8)

Guidance literature:

C₁₀H₁₉NO₂; With hydrogenchloride; water; acetic acid; for 3h; Heating / reflux;

With potassium hydroxide; In water; pH=5.5;

upstream raw materials:

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-pent-4-enoic acid ethyl ester

4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-formyl-butyric acid ethyl ester

3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-5-methyl-hex-4-enoic acid ethyl ester

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