(2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]butanedioate

Base Information

• Chemical Name: (2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]butanedioate
• CAS No.: 20556-18-7
• Molecular Formula: C₁₀H₁₉N₃O₅
• Molecular Weight: 261.278
• Hs Code.: 2924199090
• Mol file: 20556-18-7.mol

Synonyms:

Chemical Property of (2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]butanedioate

Chemical Property:

• Refractive Index: 1.543
• Boiling Point: 541.1 °C at 760 mmHg
• Flash Point: 281.1 °C
• PSA: 155.74000
• Density: 1.326 g/cm³
• LogP: 0.27830
• Storage Temp.: −20°C
• XLogP3: -5.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 261.13247072
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

LYS-ASP-OH 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC[NH3+])CC(C(=O)NC(CC(=O)[O-])C(=O)[O-])[NH3+]
• Isomeric SMILES: C(CC[NH3+])C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])[NH3+]

Technology Process of (2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]butanedioate

There total 8 articles about (2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]butanedioate 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)-2,6-Bis-benzyloxycarbonylamino-hexanoylamino)-succinic acid (122389-63-3) → Lys-Asp (20556-18-7)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol;

Reference yield:

N,N'-di-[(phenylmethoxy)carbonyl]-L-lysine (405-39-0) → Lys-Asp (20556-18-7)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) PCl₃, Py, (ii) /BRN= 4824216/

2: aq. NaOH / acetone

3: H₂, aq. AcOH / Pd-C / methanol

With sodium hydroxide; hydrogen; acetic acid; palladium on activated charcoal; In methanol; acetone;

Reference yield:

diethyl N2,N6-bis((benzyloxy)carbonyl)-L-lysyl-L-aspartate (121395-04-8) → Lys-Asp (20556-18-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / acetone

2: H₂, aq. AcOH / Pd-C / methanol

With sodium hydroxide; hydrogen; acetic acid; palladium on activated charcoal; In methanol; acetone;

upstream raw materials:

(S)-2-((S)-2,6-Bis-benzyloxycarbonylamino-hexanoylamino)-succinic acid

L-lysine

L-Aspartic acid

N,N'-di-[(phenylmethoxy)carbonyl]-L-lysine

Refernces

• 1、 Demina,Kononikhin,Laptev,Khodonov,Nikolaev,Varfolomeev. "Modelling of prebiotic synthesis and selection of peptides under isothermal conditions and thermal cycling mode". . p. 422 - 441. Retrieved 2013/06/27.