tert-Leucine
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tert-Leucine
structure -
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CAS No:
33105-81-6
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Formula:
C6H13NO2
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Chemical Name:
tert-Leucine
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Synonyms:
Valine,3-methyl-;DL-Valine,3-methyl-;Butyric acid,2-amino-3,3-dimethyl-,DL-;3-Methylvaline;DL-Pseudoleucine;DL-tert-Leucine;DL-3,3,3-Trimethyl-2-aminopropionate;DL-Terleucine;DL-tert-Leucine;Pseudoleucine;tert-Leucine;ψ-Leucine;2-Amino-3,3-dimethylbutanoic acid;tert-Butylglycine;DL-tert-Butyl-Glycine;471-50-1
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CAS No:
Description
white powder
Tert-butylglycine is a glycine derivative that is glycine with a tertiary butyl group at position 2. It has a role as a metabolite.
Characteristics
63.3
-1.8
Solid
1.0±0.1 g/cm3
>300 °C
217.7ºC at 760 mmHg
85.5±22.6 °C
1.464
H2O: 0.1 g/mL, clear, colorless
Store at RT.
Safety Information
NONH for all modes of transport
3
22-24/25
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
tert-Leucine Use and Manufacturing
1 liter (10. 9 moles)Butanol is soluble2. 3 liters of concentrated sulfuric acid, At 0 ° C or so, Slowly dropping1, 1-dichloroethylene 964 ml (12 mol), During the reaction, the temperature of the reaction system was controlled at 0-2 ° C, After completion of the addition, the reaction was allowed to proceed for 3 hours.The reaction solution was poured onto crushed ice, The product was extracted three times with 4 liters of n-hexane and the solvent was recovered. The product was hydrolysed with concentrated hydrochloric acid. The product was extracted with benzene and the solvent was recovered to give 3, 3-dimethylbutyric acid (1.14 kg, 90percent yield).The product was added with a small amount of red phosphorus as a catalyst. At 130 ° C, both air and chlorine were added. The reaction was complete and the air was purged of the excess chlorine. Vacuum distillation (102-109 ° C / 1 mmHg)2-chloro-3, 3-dimethylbutanoic acid(1.31 kg, 89percent yield)Chloride was dissolved in concentrated aqueous ammonia (13 M)At a temperature of 50 ° C for 16 hours, Liquid phase detection of amino nearly complete (less than 2percent), rush to the excess ammonia, concentrated dry, with acetic acid in l0 ° C dissolved amino acids, ammonium chloride to remove the filter. The acetic acid was distilled off to give D, L-tert-leucine (1. 06 kg, 93percent yield).Example 3
Computed Properties
Molecular Weight:131.17
XLogP3:-1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:131.094628657
Monoisotopic Mass:131.094628657
Topological Polar Surface Area:63.3
Heavy Atom Count:9
Complexity:115
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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