DL-tert-Leucine

Base Information

• Chemical Name: DL-tert-Leucine
• CAS No.: 33105-81-6
• Deprecated CAS: 471-50-1
• Molecular Formula: C6H13NO2
• Molecular Weight: 131.175
• Hs Code.: 29224995
• NSC Number: 203785
• UNII: PS3VJY8XHI
• DSSTox Substance ID: DTXSID90197039,DTXSID00308412
• Nikkaji Number: J325.090C
• Wikidata: Q27140135
• Metabolomics Workbench ID: 66109
• Mol file: 33105-81-6.mol

Synonyms:2-ADBA;2-amino-3,3-dimethylbutanoic acid;2-amino-3,3-dimethylbutanoic acid, (DL)-isomer;2-amino-3,3-dimethylbutanoic acid, (L)-isomer;2-amino-3,3-dimethylbutyric acid;D-tert-leucine;L-tert-leucine;tert-leucine

Chemical Property of DL-tert-Leucine

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.4240 (estimate)
• Boiling Point: 217.7 °C at 760 mmHg
• PKA: 2.39±0.12(Predicted)
• Flash Point: 85.5 °C
• PSA: 63.32000
• Density: 1.038 g/cm³
• LogP: 1.14470
• Storage Temp.: Store at RT.
• Solubility.: H2O: 0.1 g/mL, clear, colorless
• Water Solubility.: soluble
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

DL-tert-Butylglycine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C(C(=O)O)N

Technology Process of DL-tert-Leucine

There total 1 articles about DL-tert-Leucine 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%

D-tert-leucine (26782-71-8) → 2-amino-3,3-dimethylbutanoic acid (33105-81-6)

Guidance literature:

With ammonium hydroxide; at 85 ℃; for 12h; Autoclave;

Reference yield: 98.0%

2-amino-3,3-dimethylbutanoic acid (33105-81-6) + phenyl isocyanate (103-71-9) → N-phenylcarbamoyl-tert-leucine (827612-21-5)

Guidance literature:

2-amino-3,3-dimethylbutanoic acid; With sodium hydroxide; In water; pH=12.5;

phenyl isocyanate; In water; at 20 ℃; for 3h; pH=10.6;

Reference yield: 94.0%

phthalic anhydride (85-44-9) + 2-amino-3,3-dimethylbutanoic acid (33105-81-6) → 2-(1,3-dioxoisoindolin-2-yl)-3,3-dimethylbutanoic acid (3850-33-7)

Guidance literature:

at 170 ℃; for 2h;

DOI:10.1021/jacs.5b02244

upstream raw materials:

D-tert-leucine

Downstream raw materials:

methyl tert-leucinate

4-tert-butyl-oxazolidine-2,5-dione

2(S)-{(benzyloxycarbonyl)amino}-3,3-dimethylbutanoic acid

(+/-)-2-acetylamino-3,3-dimethylbutyric acid

Refernces

• 1、 -. "A process for the preparation of enantiomerically pure tert-leucine". Page/Page column 4-5. . Retrieved 2012/10/18.