4-Amino-2-azaniumyl-4-oxobutanoate

Base Information

• Chemical Name: 4-Amino-2-azaniumyl-4-oxobutanoate
• CAS No.: 3130-87-8
• Molecular Formula: C4H8N2O3
• Molecular Weight: 150.134
• Hs Code.: 29241900
• Mol file: 3130-87-8.mol

Synonyms:

Chemical Property of 4-Amino-2-azaniumyl-4-oxobutanoate

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 6.74E-09mmHg at 25°C
• Melting Point: 220 °C (dec.)(lit.)
• Boiling Point: 438 °C at 760 mmHg
• PKA: 2.17(at 20℃)
• Flash Point: 218.7 °C
• PSA: 106.41000
• Density: 1.404 g/cm³
• LogP: -0.32570
• Storage Temp.: Room Temperature
• Solubility.: Aqueous Acid (Slightly), Water (Slightly)
• Water Solubility.: soluble
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 132.05349212
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

99%, ^*data from raw suppliers

DL-2-AminosuccinamicAcidHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)[O-])[NH3+])C(=O)N
• Uses: DL-asparagine is a racemic mixture of the non-essential amino acids, L and D-aparagine. It is generally used in growth-media for bacteria-growth. DL-Asparagine monohydrate can also be used to synthesize other salts such as DL-asparaginium perchlorate, DL-asparaginium nitrate and dimethyl DL-aspartate.

Technology Process of 4-Amino-2-azaniumyl-4-oxobutanoate

There total 24 articles about 4-Amino-2-azaniumyl-4-oxobutanoate 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: 86.1%

β-Ala-NH2-Aminonitril → ASPARAGINE (3130-87-8,28088-48-4,7006-34-0)

Guidance literature:

With ammonium hydroxide; In methanol; water; at 150 ℃; for 10h; Autoclave;

Reference yield: 3.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → serin (302-84-1,83245-15-2) + ASPARAGINE (3130-87-8,28088-48-4,7006-34-0) + glycine (56-40-6,18875-39-3,25718-94-9)

Guidance literature:

With sulfuric acid; In water; at 0 - 10 ℃; for 1.5h; contact glow discharge electrolysis;

DOI:10.1246/cl.1997.393

Reference yield:

trans-1,2-diaminocyclohexane disuccinic acid → ASPARAGINE (3130-87-8,28088-48-4,7006-34-0) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) + aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + 3-amino propanoic acid (107-95-9)

Guidance literature:

at 22 ℃; for 1h; pH=5.6; UV-irradiation;

DOI:10.1134/S1070427217040024

upstream raw materials:

maleic anhydride

aspartic acid 4-ethyl ester

DL-aspartic acid diethyl ester

N-phthaloyl-asparagine

Downstream raw materials:

N²-(2-bromo-propionyl)-asparagine

N²-formyl-asparagine

N²-D-mandeloyl-L-asparagine

(R)-Asparagine

Refernces

• 1、 Smirnova,Khizhnyak,Nikol’skii,Khalyapina, Ya. M.,Pakhomov. "Degradation of complexons derived from succinic acid under UV radiation". . p. 507 - 511. Retrieved 2017/08/02.
• 2、 -. "Growth Hormone Secretagogue Receptor 1A Ligands". . . Retrieved 2009/01/20.