2-Methylbutyrylglycine

Base Information

• Chemical Name: 2-Methylbutyrylglycine
• CAS No.: 52320-67-9
• Molecular Formula: C₇H₁₃NO₃
• Molecular Weight: 159.185
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID90866253
• Nikkaji Number: J1.258.003G
• Wikidata: Q27159106
• Metabolomics Workbench ID: 37210
• ChEMBL ID: CHEMBL314835
• Mol file: 52320-67-9.mol

Synonyms:2-methylbutyrylglycine

Chemical Property of 2-Methylbutyrylglycine

Chemical Property:

• Vapor Pressure: 1.5E-06mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 371.8 °C at 760 mmHg
• Flash Point: 178.7 °C
• PSA: 69.89000
• Density: 1.097 g/cm³
• LogP: 1.07360
• Storage Temp.: Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylbutyrylglycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)NCC(=O)O
• Uses: 2-Methylbutyrylglycine is one of the acylglycines, an important class of metabolites that have been used in the diagnosis of several inborn errors of metabolism (IEM). 2-Methylbutyrylglycine is one of the acylglycines, an important class of metabolites that have been used in the diagnosis of several “inborn errors of metabolism” (IEM).

Technology Process of 2-Methylbutyrylglycine

There total 1 articles about 2-Methylbutyrylglycine 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:

2-Methylbutanoic acid (116-53-0,600-07-7) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-methylbutyrylglycine (52320-67-9)

Guidance literature:

Multistep reaction; (i) SOCl₂, (ii) /BRN= 635782/, aq. NaOH;

DOI:10.1002/bms.1200061007

upstream raw materials:

2-Methylbutanoic acid

glycine

Refernces

• 1、 Gregersen,Keiding,Kolvraa. "N-Acylglycines: Gas chromatographic mass spectrometric identification and determination in urine by selected ion monitoring". . p. 439 - 443. Retrieved 2007/10/05.