CID 5245668

Base Information

• Chemical Name: CID 5245668
• CAS No.: 1068-84-4
• Molecular Formula: C3H5 N O4
• Molecular Weight: 119.077
• Hs Code.: 2922499990
• Mol file: 1068-84-4.mol

Synonyms:7228-65-1

Chemical Property of CID 5245668

Chemical Property:

• Vapor Pressure: 1.31E-07mmHg at 25°C
• Melting Point: >220C (dec.)
• Boiling Point: 402.6 °C at 760 mmHg
• PKA: 0.57±0.34(Predicted)
• Flash Point: 197.3 °C
• PSA: 100.62000
• Density: 1.668 g/cm³
• LogP: -0.81680
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Water (Sparingly)
• XLogP3: -3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 119.02185764
• Heavy Atom Count: 8
• Complexity: 115

Purity/Quality:

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

2-AminomalonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)(C(=O)[O-])[NH3+]
• Uses: 2-Aminomalonic Acid can be used in biological study of novel amino acid and metabolomics signature in mice overexpressing muscle uncoupling protein 3.

Technology Process of CID 5245668

There total 26 articles about CID 5245668 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: 35.0%

lead(II) 2-aminomalonate → 2-aminomalonic acid (1068-84-4)

Guidance literature:

With hydrogen sulfide; In water;

DOI:10.1039/DT9900000207

Reference yield: 35.0%

lead(II) 2-aminomalonate → 2-aminomalonic acid (1068-84-4)

Guidance literature:

With hydrogen sulfide; lead(II) bromide; In water; byproducts: lead(II) sulphide; to a suspn. of Pb-compd. containing PbBr2 H2S is passed through for 3 h.; PbS is filtered off and washed with distd. water, the filtrate is concd. under reduced pressure at 30°C, ppt. is collected by filtn. and washed with distd. water, elem. anal.;

Reference yield:

uramil (118-78-5) → 2-aminomalonic acid (1068-84-4) + ureido-malonic acid + (2,4,6-trioxo-hexahydro-pyrimidin-5-yl)-urea (487-63-8) + urea (57-13-6)

Guidance literature:

upstream raw materials:

chloromalonic acid

2-bromomalonic acid

2-aminopropanediamide

2-nitromalonamide

Downstream raw materials:

2-acetamidomalonic acid

methylammonium carbonate

glycine

acetonedicarboxylic acid

Refernces

• 1、 Chen, Heng,Deng, Zixin,Ding, Wei,Ji, Xinjian,Li, He,Ma, Suze,Zhang, Qi. "Post-Translational Formation of Aminomalonate by a Promiscuous Peptide-Modifying Radical SAM Enzyme". . p. 19957 - 19964. Retrieved 2021.
• 2、 Barbucci, Rolando,Casolaro, Mario,Fini, Adamo. "Thermodynamics of Protonation and Copper(II) Complex Formation of α-Aminomalonic acid". . p. 207 - 211. Retrieved 1990.
• 3、 Yang, Yihua,Liu, Shouxin,Li, Junzhang,Tian, Xia,Zhen, Xiaoli,Han, Jianrong. "Convenient method for reduction of C-N double bonds in oximes, imines, and hydrazones using sodium Borohydride-Raney ni system". experimental part. p. 2540 - 2554. Retrieved 2012/07/27.