Benzyl 2-amino-4-methylpentanoate

Base Information

• Chemical Name: Benzyl 2-amino-4-methylpentanoate
• CAS No.: 1738-69-8
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.299
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00938430
• Mol file: 1738-69-8.mol

Synonyms:Benzyl 2-amino-4-methylpentanoate;benzyl leucinate;80089-22-1;DL-Leucine, benzyl ester;SCHEMBL728728;DTXSID00938430;MBRRYUQWSOODEO-UHFFFAOYSA-N;Benzyl 2-amino-4-methylpentanoate #;AKOS001633567;AKOS017417263;PD196392;EU-0005039;EN300-121485

Chemical Property of Benzyl 2-amino-4-methylpentanoate

Chemical Property:

• Vapor Pressure: 0.000987mmHg at 25°C
• Melting Point: 135-145 °C
• Boiling Point: 302.5°Cat760mmHg
• PKA: 7.85±0.42(Predicted)
• Flash Point: 157.6°C
• PSA: 52.32000
• Density: 1.04g/cm³
• LogP: 2.80350
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

(S)-Benzyl2-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)OCC1=CC=CC=C1)N

Technology Process of Benzyl 2-amino-4-methylpentanoate

There total 19 articles about Benzyl 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%

2-tert-butoxycarbonylamino-4-methyl-penatnoic acid benzyl ester (87746-56-3) → L-Leucine benzyl ester (1738-69-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 25 ℃; for 1h;

DOI:10.1021/jm020482k

Reference yield: 100.0%

L-leucine benzyl ester p-toluenesulfonate (1738-77-8) → L-Leucine benzyl ester (1738-69-8)

Guidance literature:

With sodium carbonate; In water;

Reference yield: 94.0%

(S)-Leu-OMe (2666-93-5) + benzyl alcohol (100-51-6,185532-71-2) → L-Leucine benzyl ester (1738-69-8)

Guidance literature:

With tetramethylammonium methyl carbonate; In hexane; at 50 ℃; for 8h; Molecular sieve; Green chemistry;

DOI:10.1039/c7gc03858e

upstream raw materials:

L-leucine

benzenesulfonic acid

benzyl alcohol

p-toluenesulfonic acid monohydrate

Downstream raw materials:

(S)-benzyl 2-((S)-2-amino-3-phenylpropanamido)-4-methylpentanoate hydrochloride

N-benzyloxycarbonyl-L-phenylalanyl=>1-benzyl-L-histidyl=>L-leucine

N-(N,N-phthaloyl-L-threonyl)-L-leucine-benzyl ester

N-formyl-L-leucine