(2-Acetyl-4-Methylpentyl)triMethylaMMoniuM Iodide

Base Information

• Chemical Name: (2-Acetyl-4-Methylpentyl)triMethylaMMoniuM Iodide
• CAS No.: 1069-62-1
• Molecular Formula: C₁₁H₂₄NO*I
• Molecular Weight: 313.222
• Mol file: 1069-62-1.mol

Synonyms:trimethyl[2-(2-methylpropyl)-3-oxobutyl]azanium iodide

Chemical Property of (2-Acetyl-4-Methylpentyl)triMethylaMMoniuM Iodide

Chemical Property:

• Melting Point: 180-181 °C
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2-Acetyl-4-methylpentyl)trimethylammoniumIodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (2-Acetyl-4-methylpentyl)trimethylammonium Iodide is an impurity of Tetrabenazine (T284000), an antipsychotic.

Technology Process of (2-Acetyl-4-Methylpentyl)triMethylaMMoniuM Iodide

There total 6 articles about (2-Acetyl-4-Methylpentyl)triMethylaMMoniuM Iodide 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: 95.5%

3-[(dimethylamino)methyl]-5-methylhexan-2-one (91342-74-4) + methyl iodide (74-88-4) → trimethyl[2-(2-methylpropyl)-3-oxobutyl]azanium iodide (1069-62-1)

Guidance literature:

In diethyl ether; at 25 ℃; for 0.5h;

DOI:10.1080/00397911.2019.1663539

Reference yield:

5-Methyl-2-hexanone (110-12-3) → trimethyl[2-(2-methylpropyl)-3-oxobutyl]azanium iodide (1069-62-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: methanol / 12 h / Reflux

1.2: pH ~ 8.75

2.1: ethyl acetate / 12.5 h / 25 - 30 °C

In methanol; ethyl acetate;

Reference yield:

ethyl 2-acetyl-4-methylpentanoate (1522-34-5) → trimethyl[2-(2-methylpropyl)-3-oxobutyl]azanium iodide (1069-62-1)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium hydroxide; water

2: tetrabutylammomium bromide; formaldehyd / water / 51 h / 25 - 35 °C

3: tert-butyl methyl ether / 17 h / 0 - 40 °C

With formaldehyd; tetrabutylammomium bromide; water; potassium hydroxide; In tert-butyl methyl ether; water;

upstream raw materials:

3-[(dimethylamino)methyl]-5-methylhexan-2-one

methyl iodide

trimethyl-(5-methylhex-2-en-2-yloxy)silane

5-Methyl-2-hexanone

Downstream raw materials:

(3R^*,11bR^*)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzoquinolizin-2-one

tetrabenazine

deutetrabenazine

2-Oxo-3-isobutyl-9,10-dihydroxy-1,2,3,4,6,7-hexahydro-11bH-benzochinolizin

Refernces

• 1、 Wu, Caijiao,Li, Hui,Sun, Feiyang,Bao, Changshun,Bao, Xuefei,Chen, Guoliang. "The synthesis of precursor of FP- (+) DTBZ". supporting information. p. 3218 - 3225. Retrieved 2019/09/13.
• 2、 -. "ANALOGS OF DEUTETRABENAZINE, THEIR PREPARATION AND USE". Page/Page column 26. . Retrieved 2018/10/19.