3-Amino-2,2-dimethylpropanoic acid

Base Information

• Chemical Name: 3-Amino-2,2-dimethylpropanoic acid
• CAS No.: 19036-43-2
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• Hs Code.: 2922499990
• NSC Number: 32047
• UNII: GN6Q6N22NJ
• DSSTox Substance ID: DTXSID20172516
• Nikkaji Number: J754.287I
• ChEMBL ID: CHEMBL2074956
• Mol file: 19036-43-2.mol

Synonyms:11C-MeAIB;14C-MeAIB;2,2-dimethyl-beta-alanine;2-methylaminoisobutyric acid;3-amino-2,2-dimethyl-propanoic acid;alpha-(N-methyl-11C)-methylaminoisobutyric acid;alpha-(N-methyl-14C)-methylaminoisobutyric acid;Me-AIB;MeAIB;methyl 2-aminoisobutyrate hydrochloride;propanoic acid, 3-amino-2,2-dimethyl-

Chemical Property of 3-Amino-2,2-dimethylpropanoic acid

Chemical Property:

• Vapor Pressure: 0.0418mmHg at 25°C
• Melting Point: 239-241 °C
• Boiling Point: 220.7°Cat760mmHg
• PKA: 3.91±0.10(Predicted)
• Flash Point: 87.3°C
• PSA: 63.32000
• Density: 1.07g/cm³
• LogP: 0.75620
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-2,2-dimethylpropanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CN)C(=O)O

Technology Process of 3-Amino-2,2-dimethylpropanoic acid

There total 22 articles about 3-Amino-2,2-dimethylpropanoic 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: 92.0%

3-azido-2,2-dimethylpropionic acid (1209778-22-2) → aminopivalic acid (19036-43-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 3h;

DOI:10.1021/jo101563s

Reference yield: 69.0%

chloro-pivalic acid amide (41461-75-0) → aminopivalic acid (19036-43-2)

Guidance literature:

chloro-pivalic acid amide; With sodium hydroxide; In methanol; at 50 - 53 ℃; for 70h; Sealed tube;

With hydrogenchloride; In methanol; water; at 0 - 20 ℃; for 0.166667h;

Reference yield: 67.0%

methyl 2,2-dimethyl-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate (259794-51-9) → aminopivalic acid (19036-43-2)

Guidance literature:

With hydrogenchloride; In acetic acid; for 16h; Heating;

DOI:10.1002/(SICI)1522-2675(19991215)82:12<2432::AID-HLCA2432>3.0.CO;2-H

upstream raw materials:

3-bromo-2,2-dimethylpropionic acid

aminopivalinamide

2,2-dimethyl-3-nitro-propionic acid

3-amino-2,2-dimethylpropionic acid ethyl ester

Downstream raw materials:

methyl 3-amino-2,2-dimethylpropionate

β-benzoylaminopivalic acid

2,2-dimethyl-3-(N'-phenyl-ureido)-propionic acid

3-(tert-Butoxycarbonyl)amino-2,2-dimethylpropanoic Acid

Refernces

• 1、 Fisher, Brian F.,Hong, Seong Ho,Gellman, Samuel H.. "Thermodynamic Scale of β-Amino Acid Residue Propensities for an α-Helix-like Conformation". . p. 9396 - 9399. Retrieved 2018/08/07.
• 2、 -. "NOVEL COMPOUND HAVING ABILITY TO INHIBIT 11B-HSD1 ENZYME OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT". Paragraph 0103; 0104. . Retrieved 2015/05/06.