3-Amino-2,2-dimethyl-3-oxopropanoic acid

Base Information

• Chemical Name: 3-Amino-2,2-dimethyl-3-oxopropanoic acid
• CAS No.: 116070-49-6
• Molecular Formula: C5H9 N O3
• Molecular Weight: 131.131
• Hs Code.: 2924199090
• European Community (EC) Number: 806-820-2
• DSSTox Substance ID: DTXSID30552764
• Wikidata: Q82433136
• Mol file: 116070-49-6.mol

Synonyms:116070-49-6;2-carbamoyl-2,2-dimethylacetic acid;3-Amino-2,2-dimethyl-3-oxopropanoic acid;Propanoic acid, 3-amino-2,2-dimethyl-3-oxo-;2,2-Dimethylmalonamic acid;dimethylmalonic acid monoamide;SCHEMBL925909;DTXSID30552764;MFCD07783819;AKOS006284932;MH-0703;3-Amino-2,2-dimethyl-3-oxopropanoicacid;CS-0452023;EN300-182913;Z1198174895

Chemical Property of 3-Amino-2,2-dimethyl-3-oxopropanoic acid

Chemical Property:

• PSA: 80.39000
• LogP: 0.28280
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

2-Carbamoyl-2,2-dimethylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)N)C(=O)O

Technology Process of 3-Amino-2,2-dimethyl-3-oxopropanoic acid

There total 6 articles about 3-Amino-2,2-dimethyl-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: 52.0%

10a-(2',3'-dioxo-2',3'-dihydroindol-1'-yl)-3,3-dimethyl-2H-<1,3>oxazino<3,2-a>indole-2,4,10(3H,10aH)-trione (115046-40-7) → dimethyl malonamic acid (116070-49-6) + 10b-amino-6,10b-dihydroindolo<2,3-b><1,4>-benzodiazepin-12(11H)-one (116070-48-5)

Guidance literature:

With ammonia; In ethanol; a.) ice-salt bath, 20 min b.) RT, overnight;

Reference yield:

→ dimethyl malonamic acid (116070-49-6)

Guidance literature:

With potassium permanganate; sulfuric acid;

Reference yield:

→ 3,3-dimethylpyrrolidine-2,5-dione (3437-29-4) + dimethyl malonamic acid (116070-49-6)

Guidance literature:

With potassium permanganate; sulfuric acid;

upstream raw materials:

10a-(2',3'-dioxo-2',3'-dihydroindol-1'-yl)-3,3-dimethyl-2H-<1,3>oxazino<3,2-a>indole-2,4,10(3H,10aH)-trione

2,4,4-trimethyl-5-oxo-pyrrolidine-2-carboxylic acid

3-methoxy-2,2-dimethyl-3-oxopropanoic acid

ammonia

Downstream raw materials:

5,5-dimethylbarbituric acid

2,2-dimethylmalonic acid

Refernces