[(3-Ammoniopropanoyl)amino]acetate

Base Information

• Chemical Name: [(3-Ammoniopropanoyl)amino]acetate
• CAS No.: 2672-88-0
• Molecular Formula: C5H10 N2 O3
• Molecular Weight: 146.14
• Hs Code.: 2924199090
• Mol file: 2672-88-0.mol

Synonyms:CHEMBL157332;[(3-ammoniopropanoyl)amino]acetate;BDBM50137022

Chemical Property of [(3-Ammoniopropanoyl)amino]acetate

Chemical Property:

• Vapor Pressure: 2.81E-09mmHg at 25°C
• Melting Point: 230 °C
• Boiling Point: 448.1°Cat760mmHg
• PKA: 3.29±0.10(Predicted)
• Flash Point: 224.8°C
• PSA: 92.42000
• Density: 1.267g/cm³
• LogP: -0.37280
• Storage Temp.: -15°C
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 146.06914219
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99%+, ^*data from raw suppliers

H-β-Ala-Gly-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C[NH3+])C(=O)NCC(=O)[O-]

Technology Process of [(3-Ammoniopropanoyl)amino]acetate

There total 6 articles about [(3-Ammoniopropanoyl)amino]acetate 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:

Cbz-β-Ala-Gly-OH (58171-88-3) → β-alanylglycine (2672-88-0)

Guidance literature:

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

DOI:10.1021/ja00844a046

Reference yield:

N-Carbobenzoxy-β-alanyl-glycin-methylester (89137-40-6) → β-alanylglycine (2672-88-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / methanol

2: H₂ / Pd-C / aq. ethanol; acetic acid

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

DOI:10.1021/ja00844a046

Reference yield:

→ β-alanylglycine (2672-88-0)

Guidance literature:

With palladium; acetic acid; Hydrogenolyse;

DOI:10.1021/ja01288a039

upstream raw materials:

N-(3-phthalimidopropanoyl)glycine

Benzyloxycarbonyl-β-alanyl-glycin-piperonylester

Cbz-β-Ala-Gly-OH

N-Carbobenzoxy-β-alanyl-glycin-methylester

Downstream raw materials:

N-benzyloxycarbonyl-glycyl=>β-alanyl=>glycine

Mal-Tyr-β-Ala-Gly-OH

Refernces