N-L-Valyl-L-leucine

Base Information

• Chemical Name: N-L-Valyl-L-leucine
• CAS No.: 3989-97-7
• Molecular Formula: C11H22 N2 O3
• Molecular Weight: 230.307
• European Community (EC) Number: 223-634-1
• Mol file: 3989-97-7.mol

Synonyms:N-L-Valyl-L-leucine;EINECS 223-634-1;(2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid;AKOS017542253

Chemical Property of N-L-Valyl-L-leucine

Chemical Property:

• Vapor Pressure: 2.66E-08mmHg at 25°C
• Boiling Point: 421.9°C at 760 mmHg
• Flash Point: 209°C
• Density: 1.066g/cm³
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 230.16304257
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

H-VAL-LEU-OH 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-L-Valyl-L-leucine

There total 8 articles about N-L-Valyl-L-leucine 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:

(S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)-4-methylpentanoic acid (17708-79-1) → L-valinyl-L-leucine (3989-97-7,22906-55-4)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; water; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2006.06.052

Reference yield:

Val-Leu-OBenzyl (136554-62-6) → L-valinyl-L-leucine (3989-97-7,22906-55-4)

Guidance literature:

With hydrogen; palladium; In water; acetic acid; tert-butyl alcohol; Yield given;

DOI:10.1246/bcsj.54.2705

Reference yield:

L-leucine benzyl ester p-toluenesulfonate (1738-77-8) → L-valinyl-L-leucine (3989-97-7,22906-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / acetonitrile / 4 h / 20 °C

2: H₂ / Pd / acetic acid; 2-methyl-propan-2-ol; H₂O

With hydrogen; triethylamine; palladium; In water; acetic acid; acetonitrile; tert-butyl alcohol;

DOI:10.1246/bcsj.54.2705

upstream raw materials:

Z-Val-Leu-OBzl

Val-Leu-OBenzyl

(S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)-4-methylpentanoic acid

L-leucine benzyl ester p-toluenesulfonate

Downstream raw materials:

methoxybenzyloxycarbonyl-Thr-Val-Leu

N-benzyloxycarbonyl-L-alanyl-L-valyl-L-leucine

(S)-4-[N-(benzyloxycarbonyl)-L-alanyl-L-valyl-L-leucyl]amino-6,6,6-trifluoro-5-oxohexanoic acid