Histidylleucine zwitterion

Base Information

• Chemical Name: Histidylleucine zwitterion
• CAS No.: 7763-65-7
• Molecular Formula: C12H20N4O3
• Molecular Weight: 268.316
• Hs Code.: 2933290090
• Mol file: 7763-65-7.mol

Synonyms:H-L zwitterion;His-Leu zwitterion;histidylleucine zwitterion;L-His-L-Leu zwitterion;CHEBI:147392;(2S)-2-{[(2S)-2-azaniumyl-3-(1H-imidazol-4-yl)propanoyl]amino}-4-methylpentanoate

Chemical Property of Histidylleucine zwitterion

Chemical Property:

• Vapor Pressure: 2.21E-16mmHg at 25°C
• Melting Point: 217-220℃
• Refractive Index: 1.559
• Boiling Point: 623 °C at 760 mmHg
• Flash Point: 330.6 °C
• PSA: 121.10000
• Density: 1.249 g/cm³
• LogP: 0.98620
• Storage Temp.: −20°C
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 268.15354051
• Heavy Atom Count: 19
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

His-Leu ^*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(CC1=CN=CN1)[NH3+]
• Isomeric SMILES: CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CN=CN1)[NH3+]

Technology Process of Histidylleucine zwitterion

There total 19 articles about Histidylleucine zwitterion 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:

N-α-hippuryl-L-histidyl-L-leucine (31373-65-6) → Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + (S)-2-[(S)-2-Amino-3-(1H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoic acid (7763-65-7)

Guidance literature:

With angiotensin I converting enzyme; In water; dimethyl sulfoxide; Rate constant; Equilibrium constant; buffer (pH 8);

DOI:10.1248/cpb.37.145

Reference yield:

(S)-Leu-OMe (2666-93-5) → (S)-2-[(S)-2-Amino-3-(1H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoic acid (7763-65-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 77 percent / dicyclohexylcarbodi-imide, 1-hydroxybenzotriazole / dimethylformamide

2: 88 percent / sodium hydroxide / dioxane; H₂O / 1 h / 0 °C

3: trifluoroacetic acid

4: hydrogen / 10percent palladium-charcoal / aq. acetic acid / 15 h

With sodium hydroxide; hydrogen; benzotriazol-1-ol; dicyclohexyl-carbodiimide; trifluoroacetic acid; palladium on activated charcoal; In 1,4-dioxane; water; acetic acid; N,N-dimethyl-formamide;

DOI:10.1039/P19810000522

Reference yield:

N-(Nα-benzyloxycarbonyl-histidyl)-leucine (38972-90-6) → (S)-2-[(S)-2-Amino-3-(1H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoic acid (7763-65-7)

Guidance literature:

With palladium; acetic acid; Hydrogenation;

DOI:10.1021/ja01634a040

upstream raw materials:

N-(1,N^α-bis-benzyloxycarbonyl-histidyl)-leucine methyl ester

N-(1-benzyl-N^α-benzyloxycarbonyl-L-histidyl)-L-leucine-benzyl ester

L-Leucine ethyl ester

N-cyclohexylcarbodiimide

Downstream raw materials:

histidinylleucinato^(2-)-O,N,N-diphenyltin(IV)

N-α-hippuryl-L-histidyl-L-leucine