3-(3-Methyl-5-isoxazolyl)alanine

Base Information

• Chemical Name: 3-(3-Methyl-5-isoxazolyl)alanine
• CAS No.: 100959-34-0
• Molecular Formula: C₇H₁₀N₂O₃
• Molecular Weight: 170.168
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30360886
• Nikkaji Number: J3.559.220B
• Mol file: 100959-34-0.mol

Synonyms:3-(3-methyl-5-isoxazolyl)alanine;100959-34-0;5-Isoxazolealanine,3-methyl-(6CI);(2S)-2-AMINO-3-(3-METHYL-1,2-OXAZOL-5-YL)PROPANOIC ACID;(S)-2-amino-3-(3-methylisoxazol-5-yl)propanoic acid;DTXSID30360886;2-Methylthioadenosine5-monophosphate;AKOS025395234

Chemical Property of 3-(3-Methyl-5-isoxazolyl)alanine

Chemical Property:

• Refractive Index: 1.54
• Boiling Point: 348.2 °C at 760 mmHg
• Flash Point: 164.4 °C
• PSA: 89.35000
• Density: 1.311 g/cm³
• LogP: 0.63770
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 170.06914219
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-METHYL-5-ISOXAZOLYL)ALANINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC(=C1)CC(C(=O)O)N
• Isomeric SMILES: CC1=NOC(=C1)C[C@@H](C(=O)O)N

Technology Process of 3-(3-Methyl-5-isoxazolyl)alanine

There total 2 articles about 3-(3-Methyl-5-isoxazolyl)alanine 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:

5-(3-methyl-isoxazol-5-ylmethylene)-imidazolidine-2,4-dione (70996-88-2) → 2-amino-3-(3-methyl-isoxazol-5-yl)-propionic acid (100959-34-0)

Guidance literature:

With diammonium sulfide;

Reference yield:

3-methylisoxazole-5-carbaldehyde (70753-36-5) → 2-amino-3-(3-methyl-isoxazol-5-yl)-propionic acid (100959-34-0)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine

2: aqueous 4>2S

With piperidine; diammonium sulfide;

upstream raw materials:

5-(3-methyl-isoxazol-5-ylmethylene)-imidazolidine-2,4-dione

3-methylisoxazole-5-carbaldehyde