N-formyl-2-methylAlanine

Base Information

• Chemical Name: N-formyl-2-methylAlanine
• CAS No.: 60421-25-2
• Molecular Formula: C5H9NO3
• Molecular Weight: 131.13
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID10576822
• Wikidata: Q82466691
• Mol file: 60421-25-2.mol

Synonyms:N-formyl-2-methylAlanine;60421-25-2;2-FORMAMIDO-2-METHYLPROPANOIC ACID;SCHEMBL1187857;DTXSID10576822;HBYUYCJYSZHTTE-UHFFFAOYSA-N;N-formyl-alpha-aminoisobutyric acid;N-formyl-alpha -aminoisobutyric acid;AKOS010514123

Chemical Property of N-formyl-2-methylAlanine

Chemical Property:

• PSA: 69.89000
• LogP: 0.43590
• 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: 130

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C(=O)O)NC=O

Technology Process of N-formyl-2-methylAlanine

There total 4 articles about N-formyl-2-methylAlanine 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: 99.0%

formic acid (64-18-6) + 2-Aminoisobutyric acid (62-57-7) → N-formyl-2-aminoisobutyric acid (60421-25-2)

Guidance literature:

formic acid; 2-Aminoisobutyric acid; at 20 - 55 ℃;

With acetic anhydride; at 20 - 55 ℃; for 2h;

With water; Heating; Reduced pressure;

DOI:10.1039/c2cc16027g

Reference yield:

2-Aminoisobutyric acid (62-57-7) → ethyl-α-aminoisobutyrylglycinate hydrochloride + N-formyl-2-aminoisobutyric acid (60421-25-2)

Guidance literature:

With acetic anhydride; In formic acid; (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield:

2-Aminoisobutyric acid (62-57-7) + formyl acetic anhydride (2258-42-6) → N-formyl-2-aminoisobutyric acid (60421-25-2)

Guidance literature:

With formic acid;

upstream raw materials:

2-Aminoisobutyric acid

formyl acetic anhydride

formic acid

Downstream raw materials:

C₃₄H₄₉N₇O₇S

C₄₆H₅₇N₇O₇S

C₃₀H₄₃N₅O₅S

N-formyl-α-aminoisobutyric acid phenyl ester

Refernces

• 1、 Wade, Herschel,Scanlan, Thomas S.. "Remote binding energy in antibody catalysis: Studies of a catalytically unoptimized specificity pocket". . p. 1434 - 1443. Retrieved 2007/10/03.