2-Methyl-2-(trifluoroacetamido)propanoic acid

Base Information

• Chemical Name: 2-Methyl-2-(trifluoroacetamido)propanoic acid
• CAS No.: 2707-93-9
• Molecular Formula: C6H8 F3 N O3
• Molecular Weight: 199.13
• NSC Number: 192721
• DSSTox Substance ID: DTXSID10307557
• Nikkaji Number: J1.566.658G
• Wikidata: Q82054990
• Mol file: 2707-93-9.mol

Synonyms:2-methyl-2-(trifluoroacetamido)propanoic acid;2707-93-9;2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;2-trifluoroacetylamino-isobutyric acid;NSC192721;SCHEMBL4463196;DTXSID10307557;CAA70793;AKOS010514122;NSC-192721;N-trifluoroacetyl-a-aminoisobutyric acid;BS-33926;2-methyl-2-(trifluoroacetamido)propanoicacid;EN300-180501;2-methyl-2-[(trifluoroacetyl)amino]propionic acid;2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propionic acid

Chemical Property of 2-Methyl-2-(trifluoroacetamido)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000574mmHg at 25°C
• Boiling Point: 288.9°Cat760mmHg
• Flash Point: 128.5°C
• Density: 1.377g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 199.04562760
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)NC(=O)C(F)(F)F

Technology Process of 2-Methyl-2-(trifluoroacetamido)propanoic acid

There total 2 articles about 2-Methyl-2-(trifluoroacetamido)propanoic 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: 79.0%

2-Aminoisobutyric acid (62-57-7) + trifluoroacetic acid (76-05-1) + trifluoroacetic anhydride (407-25-0) → N-(trifluoroacetyl)-α-amino-isobutanoate (2707-93-9)

Guidance literature:

at 0 - 20 ℃; for 15h;

Reference yield: 75.0%

2-Aminoisobutyric acid (62-57-7) + trifluoroacetic anhydride (407-25-0) → N-(trifluoroacetyl)-α-amino-isobutanoate (2707-93-9)

Guidance literature:

In trifluoroacetic acid;

DOI:10.1016/0040-4020(82)85164-8

Reference yield: 99.0%

N-(trifluoroacetyl)-α-amino-isobutanoate (2707-93-9) + Boc-Pro-Aib-Ala-Aib-OBzl (66264-04-8) → C29H40F3N5O7

Guidance literature:

Boc-Pro-Aib-Ala-Aib-OBzl; With trifluoroacetic acid; In dichloromethane;

N-(trifluoroacetyl)-α-amino-isobutanoate; With 4-methyl-morpholine; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; pH=8;

DOI:10.1002/cbdv.201300394

upstream raw materials:

2-Aminoisobutyric acid

trifluoroacetic anhydride

trifluoroacetic acid

Downstream raw materials:

trans-2-Trifluoracetylamino-2-methyl-N-(4-nitroxycyclohexyl)-propionsaeureamid

2,2,2-trifluoro-N-(2-methyl-1-oxo-1-phenylpropaN-2-yl)acetamide

2,2,2-Trifluoro-N-(2-hydroxy-1,1-dimethyl-2-phenyl-ethyl)-acetamide

N-[2-(3,4-Dimethoxy-phenyl)-1,1-dimethyl-ethyl]-2,2,2-trifluoro-acetamide