(2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoate

Base Information

• Chemical Name: (2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoate
• CAS No.: 5874-90-8
• Molecular Formula: C9H17N3O4
• Molecular Weight: 231.252
• Hs Code.: 2924199090
• Mol file: 5874-90-8.mol

Synonyms:

Chemical Property of (2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoate

Chemical Property:

• Vapor Pressure: 2.58E-14mmHg at 25°C
• Melting Point: 250-253℃ (Decomposition)
• Refractive Index: 1.505
• Boiling Point: 566.5 °C at 760 mmHg
• PKA: 3.41±0.10(Predicted)
• Flash Point: 296.4 °C
• PSA: 121.52000
• Density: 1.227 g/cm³
• LogP: -0.09030
• Storage Temp.: −20°C
• Solubility.: Acetonitrile (Slightly), Water (Slightly)
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.12190603
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

99%+, ^*data from raw suppliers

L-Alanyl-L-alanyl-L-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoate

There total 19 articles about (2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoate 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%

H2N-LAla3-OBn → L-ala-L-ala-L-ala (5874-90-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran; methanol; at 20 ℃; for 3h;

DOI:10.1055/s-0036-1588698

Reference yield:

Cbz-L-ala-L-ala-L-ala-Cbz (90427-70-6) → L-ala-L-ala-L-ala (5874-90-8)

Guidance literature:

With hydrogen; palladium;

Reference yield:

C19H26N2O7 → L-ala-L-ala-L-ala (5874-90-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N-methylmorpholine / CH₂Cl₂ / 1 h / -15 °C

2: H₂ / Pd/C / methanol / 24 h / 4654.33 Torr

With 4-methyl-morpholine; hydrogen; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1039/b509920j

upstream raw materials:

N^α-benzyloxycarbobyl-L-alanyl-L-alanyl-L-alanine

Cbz-L-ala-L-ala-L-ala-Cbz

L-N-Boc-Ala

L-alanin

Downstream raw materials:

1-hippuroyl-L-proline

C₂₁H₃₀N₄O₇

hexaalanine

Penta-L-Alanin

Refernces

• 1、 Fujimoto, Chikako,Shinozaki, Ayako,Mimura, Koichi,Nishida, Tamihito,Gotou, Hirotada,Komatsu, Kazuki,Kagi, Hiroyuki. "Pressure-induced oligomerization of alanine at 25 °C". . p. 13358 - 13361. Retrieved 2015/08/24.
• 2、 Zhao, Wenjie,Zhao, Dongxin,Lu, Kui. "Mechanism study on the oligomerization of amino acids into peptides by phosphorus trichloride". scheme or table. p. 691 - 698. Retrieved 2009/05/07.