Methyl 2-amino-4-methylpentanoate

Base Information

• Chemical Name: Methyl 2-amino-4-methylpentanoate
• CAS No.: 18869-43-7
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• European Community (EC) Number: 228-681-1
• DSSTox Substance ID: DTXSID70328501
• Nikkaji Number: J953.039H
• Mol file: 18869-43-7.mol

Synonyms:Methyl 2-amino-4-methylpentanoate;18869-43-7;methyl leucinate;(2R,3S)-2-azaniumyl-3-hydroxybutanoate;Methyl DL-leucinate hydrochloride;7-methylleucine;Methyl DL-leucinate HCl;SCHEMBL196338;2-Isobutylglycine methyl ester;Methyl2-amino-4-methylpentanoate;DTXSID70328501;EINECS 228-681-1;BBL010084;NSC 32110;STK801442;AKOS005612985;2-Amino-4-methyl-pentanoic acid methyl ester;EN300-34170

Chemical Property of Methyl 2-amino-4-methylpentanoate

Chemical Property:

• PSA: 52.32000
• LogP: 1.23310
• 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:

99% ^*data from raw suppliers

methylleucinate ^*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

Technology Process of Methyl 2-amino-4-methylpentanoate

There total 17 articles about Methyl 2-amino-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: 100.0%

methanol (67-56-1) + LEUCINE (328-39-2,21675-61-6,25248-98-0,70-45-1) → DL-leucine methyl ester (18869-43-7)

Guidance literature:

With thionyl chloride; for 3h; Heating;

DOI:10.1021/jo070840x

Reference yield: 96.0%

methyl 2-nitro-4-methylpentanoate (89896-05-9) → DL-leucine methyl ester (18869-43-7)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 0.166667h; Ambient temperature;

DOI:10.1055/s-1986-31497

Reference yield: 95.0%

2-(2-Aza-bicyclo[2.2.1]hept-5-en-2-yl)-4-methyl-pentanoic acid methyl ester; hydrochloride (110098-02-7) → L-Leucine methyl ester (2666-93-5,18869-43-7,23032-21-5,73136-00-2)

Guidance literature:

With N-methylmaleimide; In water; at 23 ℃; for 4h;

DOI:10.1021/ja00253a053

upstream raw materials:

methanol

LEUCINE

N-carbobenzyloxy leucine

isocapronitrile

Downstream raw materials:

3,6-diisobutyl-2,5-piperazinedione

N-(N-benzoyl-glycyl)-leucine methyl ester

2-amino-4-methylpentan-1-ol

2-dimethylamino-4-methyl-pentan-1-ol