Methyl L-leucinate

Base Information

• Chemical Name: Methyl L-leucinate
• CAS No.: 2666-93-5
• Deprecated CAS: 1310449-30-9
• Molecular Formula: C7H15 N O2
• Molecular Weight: 145.202
• Hs Code.: 2922499990
• European Community (EC) Number: 220-205-0
• UNII: G3M3TO108Y
• DSSTox Substance ID: DTXSID30883883
• Nikkaji Number: J101.393I
• Wikidata: Q27104523
• Metabolomics Workbench ID: 52360
• ChEMBL ID: CHEMBL1229070
• Mol file: 2666-93-5.mol

Synonyms:leucine methyl ester;leucine methyl ester hydrochloride;leucine methyl ester, (D-Leu)-isomer;leucine-O-methyl ester;methyl leucine

Chemical Property of Methyl L-leucinate

Chemical Property:

• Vapor Pressure: 1.56mmHg at 25°C
• Boiling Point: 169.2°Cat760mmHg
• Flash Point: 42.7°C
• PSA: 52.32000
• Density: 0.955g/cm³
• LogP: 1.23310
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

98%Min ^*data from raw suppliers

(S)-Methyl2-amino-4-methylpentanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)N
• Isomeric SMILES: CC(C)C[C@@H](C(=O)OC)N

Technology Process of Methyl L-leucinate

There total 67 articles about Methyl L-leucinate 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: 100.0%

methanol (67-56-1) + L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) → (S)-Leu-OMe (2666-93-5)

Guidance literature:

With thionyl chloride;

DOI:10.1016/S0040-4039(00)94374-0

Reference yield: 95.0%

(S)-4-Methyl-2-(4-trifluoromethyl-benzyloxycarbonylamino)-pentanoic acid methyl ester → (S)-Leu-OMe (2666-93-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; at 20 ℃; for 1.41667h;

DOI:10.1021/ol005589l

Reference yield: 93.0%

C17H35NO4Si → (S)-Leu-OMe (2666-93-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃;

DOI:10.1021/jo990272o

upstream raw materials:

diazomethane

L-leucine

methanol

LEUCINE

Downstream raw materials:

N-(4-nitro-benzoyl)-L-leucine methyl ester

N-benzoyl-L-leucine methyl ester

N-benzyloxycarbonylglycyl-L-leucine methyl ester

methyl (S)-4-methyl-2-(phenylsulfonamido)pentanoate

Refernces

• 1、 Eisenbarth, Sophie,Steffan, Bert. "Structure and biosynthesis of chrysophysarin A, a plasmodial pigment from the slime mould Physarum polycephalum (Myxomycetes)". . p. 363 - 365. Retrieved 2000.
• 2、 ?tv?s, Sándor B.,Buchholcz, Balázs,Darvas, Ferenc,Kappe, C. Oliver,Novák, Zoltán,Sipos, Gellért,Wernik, Michaela. "Continuous flow heterogeneous catalytic reductive aminations under aqueous micellar conditions enabled by an oscillatory plug flow reactor". supporting information. p. 5625 - 5632. Retrieved 2021/08/16.
• 3、 Shi, Mingxing,Wang, Libo,Zhang, Long,Wang, Kexin,Zhang, Hualin,Wang, Yajing,Li, Chang,Han, Weina. "Synthesis and evaluation of antitumor activities of 4-selenopyrimidine derivatives". . p. 96 - 116. Retrieved 2020/10/22.