(2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate

Base Information

• Chemical Name: (2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate
• CAS No.: 584-85-0
• Molecular Formula: C10H16N4O3
• Molecular Weight: 240.262
• Hs Code.: 2933290090
• Mol file: 584-85-0.mol

Synonyms:anserine zwitterion;alpha-(beta-aminopropionylamino)-beta-(1-methyl-5-imidazolyl)propionic acid;(2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate;CHEBI:58445;beta-alanyl-Npi-methyl-L-histidine

Chemical Property of (2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate

Chemical Property:

• Vapor Pressure: 8.52E-16mmHg at 25°C
• Melting Point: 268℃ (decomposition)
• Refractive Index: 1.615
• Boiling Point: 611.3 °C at 760 mmHg
• PKA: 3.02±0.10(Predicted)
• Flash Point: 323.5 °C
• PSA: 110.24000
• Density: 1.38 g/cm³
• LogP: -0.02800
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Methanol (Slightly, Heated), Water (Slightly)
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 240.12224039
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

L-Anserine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC=C1CC(C(=O)[O-])NC(=O)CC[NH3+]
• Isomeric SMILES: CN1C=NC=C1C[C@@H](C(=O)[O-])NC(=O)CC[NH3+]

Technology Process of (2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate

There total 36 articles about (2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)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: 97.0%

C15H24N4O5 → L-anserine (584-85-0)

Guidance literature:

With hydrogenchloride; In water; at 20 - 50 ℃; for 4h;

Reference yield: 95.0%

C25H28N4O5 → L-anserine (584-85-0)

Guidance literature:

With ammonium formate; In ethanol; at 70 - 80 ℃; for 12h; Solvent; Reagent/catalyst; Temperature;

Reference yield: 95.0%

C16H20N4O3 → L-anserine (584-85-0)

Guidance literature:

With sodium hydrogencarbonate; at 20 - 30 ℃; for 8h;

upstream raw materials:

benzyl N-[2-(hydrazinecarbonyl)ethyl]carbamate

3-methyl-L-histidine

3-amino propanoic acid

3-methylhistidine

Downstream raw materials:

3-methylhistidine

3-amino propanoic acid

Refernces

• 1、 -. "Preparation method of anserine and anserine intermediate, and anserine intermediate". Paragraph 0069-0095. . Retrieved 2021/04/10.
• 2、 -. "Preparation methods of whale carnosine and intermediate thereof". . . Retrieved 2019/05/28.