2-Methylmalonamide

Base Information

• Chemical Name: 2-Methylmalonamide
• CAS No.: 1113-63-9
• Molecular Formula: C4H8N2O2
• Molecular Weight: 116.12
• Hs Code.: 2924199090
• European Community (EC) Number: 654-172-2
• NSC Number: 19878
• DSSTox Substance ID: DTXSID00912098
• Nikkaji Number: J127.777D
• Wikidata: Q72492480
• Mol file: 1113-63-9.mol

Synonyms:2-Methylmalonamide;1113-63-9;2-methylpropanediamide;2-Methylmalonodiamide;methylmalonamide;methyl malonamide;NSC19878;2-Methylpropanediimidic acid;SCHEMBL177800;DTXSID00912098;MFCD00043625;NSC-19878;STL135321;AKOS004907160;BS-9818;CS-0235187;FT-0613063;EN300-153779;A802349;Z1203578231

Chemical Property of 2-Methylmalonamide

Chemical Property:

• Vapor Pressure: 1.28E-06mmHg at 25°C
• Melting Point: 208-210 °C
• Refractive Index: 1.485
• Boiling Point: 400.3 °C at 760 mmHg
• PKA: 7.00±0.70(Predicted)
• Flash Point: 195.9 °C
• PSA: 86.18000
• Density: 1.202 g/cm³
• LogP: -0.00630
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 116.058577502
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

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

2-Methylpropanediamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)N)C(=O)N

Technology Process of 2-Methylmalonamide

There total 10 articles about 2-Methylmalonamide 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: 99.7%

Diethyl methylmalonate (609-08-5) → 2-methyl-malonamide (1113-63-9)

Guidance literature:

With ammonia; In methanol; for 168h; Ambient temperature;

DOI:10.1271/bbb1961.45.2031

Reference yield:

methyl-propanedioic acid (516-05-2) → 2-methyl-malonamide (1113-63-9)

Guidance literature:

With ammonia; at 145 ℃; for 0.5h; Temperature;

Reference yield:

methyl-malonic acid dimethylester (609-02-9) → 2-methyl-malonamide (1113-63-9)

Guidance literature:

With ammonia; water; at 20 ℃;

upstream raw materials:

methyl-malonic acid dimethylester

Diethyl methylmalonate

methanol

malonodiamide

Downstream raw materials:

1,3-diamino-2-methylpropane

4-hydroxy-5-methylpyrimidin-6(1H)-one

2-methylmalononitrile

Refernces

• 1、 -. "Corresponding amine nitrile and method of manufacturing thereof (by machine translation)". Paragraph 0124; 0125; 0126; 0129. . Retrieved 2018/07/15.
• 2、 Boyd, John P.,Irran, Elisabeth,Grohmann, Andreas. "Tetrapodal amidoxime ligands I. Coordination isomerism due to self-complementary dimerization of a pyramidal cobalt(iii) coordination module". experimental part. p. 2477 - 2485. Retrieved 2012/03/22.