2,4-Dicyano-3-(2-Methylpropyl)-pentanediaMide

Base Information

• Chemical Name: 2,4-Dicyano-3-(2-Methylpropyl)-pentanediaMide
• CAS No.: 185815-56-9
• Molecular Formula: C₁₁H₁₆N₄O₂
• Molecular Weight: 236.274
• Mol file: 185815-56-9.mol

Synonyms:

Chemical Property of 2,4-Dicyano-3-(2-Methylpropyl)-pentanediaMide

Chemical Property:

• Melting Point: 116-118oC
• Boiling Point: 551.0±50.0 °C(Predicted)
• PKA: 18.20±0.50(Predicted)
• Density: 1.181±0.06 g/cm3(Predicted)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dicyano-3-(2-methylpropyl)-pentanediamide(MixtureofDiastereomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 2,4-Dicyano-3-(2-methylpropyl)-pentanediamide is an impurity of Pregabalin (P704800), a GABA (A602920) analogue used as an anticonvulsant.

Technology Process of 2,4-Dicyano-3-(2-Methylpropyl)-pentanediaMide

There total 1 articles about 2,4-Dicyano-3-(2-Methylpropyl)-pentanediaMide 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: 96.0%

isovaleraldehyde (590-86-3) + cyanoacetic acid amide (107-91-5) → 2,4-dicyano-3-isobutylglutaramide (185815-56-9)

Guidance literature:

With tetramethyl ammoniumhydroxide; trimethyldodecylammonium chloride; In ethanol; at 25 ℃; for 6h; Reagent/catalyst; Temperature;

Reference yield: 41.0%

2,4-dicyano-3-isobutylglutaramide (185815-56-9) → (E)-2-cyano-5-methylhex-2-enamide (143420-53-5)

Guidance literature:

In water; at 60 ℃; Concentration; Temperature; Green chemistry;

Reference yield:

2,4-dicyano-3-isobutylglutaramide (185815-56-9) → (3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid (181289-25-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid / 12 h / Reflux

2: potassium permanganate; sulfuric acid / 10 h / Reflux

3: sodium hydroxide; hydrolase / aq. phosphate buffer / 20 °C / pH 7.2 - 7.3 / Enzymatic reaction

With potassium permanganate; sulfuric acid; hydrolase; sodium hydroxide; In aq. phosphate buffer;

upstream raw materials:

isovaleraldehyde

cyanoacetic acid amide

Downstream raw materials:

(E)-2-cyano-5-methylhex-2-enamide

(3S)-3-(2-methoxy-2-oxoethyl)-5-methylhexanoic acid

Refernces

• 1、 -. "Preparation method for 3-carbamoymethyl-5-methylhexanoic acid". Paragraph 0022-0034. . Retrieved 2017/05/27.