3-Amino-3-oxopropanoic acid

Base Information

• Chemical Name: 3-Amino-3-oxopropanoic acid
• CAS No.: 2345-56-4
• Molecular Formula: C3H5 N O3
• Molecular Weight: 103.078
• Hs Code.: 2924199090
• European Community (EC) Number: 219-069-5
• NSC Number: 1812
• UNII: 30H7L7X07N
• DSSTox Substance ID: DTXSID10178002
• Nikkaji Number: J135.769G
• Wikidata: Q27093607
• Metabolomics Workbench ID: 52355
• Mol file: 2345-56-4.mol

Synonyms:malonamate;malonamic acid

Chemical Property of 3-Amino-3-oxopropanoic acid

Chemical Property:

• Vapor Pressure: 2.17E-08mmHg at 25°C
• Melting Point: 121 °C
• Boiling Point: 424.4°Cat760mmHg
• PKA: pK1:3.641(0) (25°C)
• Flash Point: 210.4°C
• PSA: 80.39000
• Density: 1.402g/cm³
• LogP: -0.35330
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 103.026943022
• Heavy Atom Count: 7
• Complexity: 98.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-amino-3-oxopropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(=O)N)C(=O)O
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Technology Process of 3-Amino-3-oxopropanoic acid

There total 24 articles about 3-Amino-3-oxopropanoic acid 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: 95.0%

methanol (67-56-1) + 4-nitrobenzaldehdye (555-16-8) + 2-[1,3]dithian-2-ylidene-3-oxo-butanamide → 4-nitrophenyl-1,3-dithiane (24588-74-7) + methyl malonamate (51513-29-2) + Malonamic acid (2345-56-4)

Guidance literature:

With acetyl chloride; for 1.83333h; Heating;

DOI:10.1081/SCC-200043220

Reference yield: 94.0%

methanol (67-56-1) + para-chloroacetophenone (99-91-2) + 2-[1,3]dithian-2-ylidene-3-oxo-butanamide → 2-(4-chlorophenyl)-2-methyl-1,3-dithiane (10359-10-1) + methyl malonamate (51513-29-2) + Malonamic acid (2345-56-4)

Guidance literature:

With acetyl chloride; for 4.66667h; Heating;

DOI:10.1081/SCC-200043220

Reference yield: 93.0%

methanol (67-56-1) + (4-nitrophenyl)ethanone (100-19-6) + 2-[1,3]dithian-2-ylidene-3-oxo-butanamide → methyl malonamate (51513-29-2) + 2-methyl-2-(4-nitrophenyl)-1,3-dithiane (67395-06-6) + Malonamic acid (2345-56-4)

Guidance literature:

With acetyl chloride; for 3h; Heating;

DOI:10.1081/SCC-200043220

upstream raw materials:

diethyl malonate

2,4-oxetanedione

malonodiamide

ethyl malonamate

Downstream raw materials:

4-methyl-pent-2-enoic acid amide

(E)-pent-2-enoylamide

(E)-3-(3,4-dihydroxyphenyl)acrylamide

acetamide

Refernces

• 1、 Menor Salván,Bouza, Marcos,Fialho, David M.,Burcar, Bradley T.,Fernández, Facundo M.,Hud, Nicholas V.. "Prebiotic Origin of Pre-RNA Building Blocks in a Urea “Warm Little Pond” Scenario". . p. 3504 - 3510. Retrieved 2020/10/02.
• 2、 Niaz, M Arif,Khan, A Aziz. "Kinetics and mechanism of alkaline hydrolysis of malonamide and dicyandiamide". . p. 144 - 147. Retrieved 2007/10/02.