N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine
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![N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9ff0730f4ebf4ab095764100145aa170.png "N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine")
N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine
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CAS No:
28782-78-7
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Formula:
C10H18N2O5
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Chemical Name:
N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine
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Synonyms:
Glycine,N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-;Glycine,N-(N-carboxy-L-alanyl)-,N-tert-butyl ester;Glycine,N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-;N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine;t-Butoxycarbonyl-L-alanylglycine;N-tert-Butoxycarbonylalanylglycine;N-(tert-Butoxycarbonyl)-L-alanylglycine;2-[(2S)-2-[[(tert-Butoxy)carbonyl]amino]propanamido]acetic acid
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CAS No:
N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine Basic Attributes
246.26
246.26
249-219-5
2924199090
Characteristics
105
0.3
1.19g/cm3
104-105 °C @ Solvent: Ethyl acetate, Ligroine
484.4°C at 760 mmHg
246.8ºC
1.48
-15°C
1.03E-10mmHg at 25°C
N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine Use and Manufacturing
Compound 9a (2.6 g, 10 mmol) in 50 ml methanol was treatedwith 1 M NaOH (30 ml), and stirred for 3 h at room temperature.The solvent was evaporated in vacuum and the residue wasadjusted to PH 2–3 with 1 M HCl. The mixture was extracted 3times by EtOAc. The organic phase was dried over Na2SO4. Evaporationof EtOAc provided compound 10a. White solid: yield 92.4percent, mp: 102–105 C.
Computed Properties
Molecular Weight:246.26
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:246.12157168
Monoisotopic Mass:246.12157168
Topological Polar Surface Area:105
Heavy Atom Count:17
Complexity:308
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
N-[(1,1-Dimethylethoxy)carbonyl]-L-alanylglycine
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