2-(Acetylazaniumyl)-4-methylpentanoate

Base Information

• Chemical Name: 2-(Acetylazaniumyl)-4-methylpentanoate
• CAS No.: 99-15-0
• Molecular Formula: C8H15NO3
• Molecular Weight: 173.212
• Hs Code.: 29241900
• Mol file: 99-15-0.mol

Synonyms:

Chemical Property of 2-(Acetylazaniumyl)-4-methylpentanoate

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 160 °C
• Boiling Point: 369.7 °C at 760 mmHg
• PKA: 3.67±0.10(Predicted)
• Flash Point: 177.4 °C
• PSA: 66.40000
• Density: 1.069 g/cm³
• LogP: 1.01270
• Storage Temp.: −20°C
• Solubility.: almost transparency in EtOH
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Acetyl-DL-leucine 99+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)[O-])[NH2+]C(=O)C
• Uses: antivertigo

Technology Process of 2-(Acetylazaniumyl)-4-methylpentanoate

There total 22 articles about 2-(Acetylazaniumyl)-4-methylpentanoate 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: 99.0%

acetamide (60-35-5) + carbon monoxide (201230-82-2) + isovaleraldehyde (590-86-3) → N-acetylleucine (99-15-0)

Guidance literature:

With sulfuric acid; lithium bromide; bis(triphenylphosphine)palladium dibromide; In various solvent(s); at 120 ℃; for 12h; under 45003.6 Torr;

DOI:10.1002/anie.199714941 DOI:10.1002/(SICI)1521-3765(19980515)4:5<935::AID-CHEM935>3.0.CO;2-#

Reference yield: 94.0%

L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) + acetic acid (64-19-7,77671-22-8) → N-acetylleucine (99-15-0)

Guidance literature:

at 150 ℃; microwave irradiation;

DOI:10.1080/00397910701860372

Reference yield: 84.0%

acetamide (60-35-5) + carbon monoxide (201230-82-2) + isobutene (115-11-7,15220-85-6) → N-acetylleucine (99-15-0)

Guidance literature:

With carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl; hydrogen; In ethyl acetate; at 120 ℃; for 4h;

DOI:10.1016/0022-328X(91)80164-F

upstream raw materials:

Ketene

L-leucine

acetylamino-isobutyl-malonic acid

DL-leucine ethyl ester

Downstream raw materials:

ethyl N-acetyl-leucinate

L-leucine

N-Ac-Leu

N-acetyl-L-leucine anilide

Refernces

• 1、 Kochetova,Kustova,Kuritsyn. "Reactivity of α-Amino Acids in the Reaction with Esters in Aqueous–1,4-Dioxane Media". . p. 80 - 85. Retrieved 2018/03/09.
• 2、 Wang, Xiao-Jian,Yang, Qian,Liu, Fei,You, Qi-Dong. "Microwave-assisted synthesis of amide under solvent-free conditions". . p. 1028 - 1035. Retrieved 2008/09/18.