1-(2,5-Dioxo-1-pyrrolidinyl) 4-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate

Basic Information

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CAS Number

50715-50-9

Molecular Formula

C17H26N2O8

Molecular Weight

386.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

98-102 °C

SMILES

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CC(C)(C)OC(=O)CC(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N2O8/c1-16(2,3)25-13(22)9-10(18-15(24)26-17(4,5)6)14(23)27-19-11(20)7-8-12(19)21/h10H,7-9H2,1-6H3,(H,18,24)/t10-/m0/s1

InChIKey

PIITZDSTZQZNQH-JTQLQIEISA-N

LogP

1.2187

Topological Polar Surface Area

128.31 Å²

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

614

Safety Information

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Sensitiveness

Moisture Sensitive

Synonyms & References

English

Boc-Asp(OtBu)-OSu
O1-(2,5-Dioxopyrrolidin-1-yl) O4-tert-butyl (2S)-2-(tert-butoxycarbonylamino)-butanedioate
4-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CS-W011746
(S)-4-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) 2-(tert-butoxycarbonylamino)succinate
BOC--Asp (OtBu)--OSu
PIITZDSTZQZNQH-JTQLQIEISA-N
1-tert-butyl 2,5-dioxopyrrolidin-1-yl (3S)-3-{[(tert-butoxy)carbonyl]amino}butanedioate
A851378
O1-(2,5-Dioxopyrrolidin-1-yl) O4-tert-butyl(2S)-2-(tert-butoxycarbonylamino)-butanedioate
N-alpha-t-Butyloxycarbonyl-L-aspartic acid alpha-succinimidyl beta-t-butyl ester
Boc-L-aspartic acid 4-tert-butyl 1-(hydroxysuccinimide) ester
(S)-4-tert-Butyl 1-(2,5-dioxopyrrolidin-1-yl) 2-((tert-butoxycarbonyl)amino)succinate
1-(2,5-Dioxo-1-pyrrolidinyl) 4-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate
Boc-L-aspartic acida-N-hydroxysuccinimide ester
50715-50-9
MFCD00063389
SCHEMBL7888161
Boc-Asp(OtBu)-OSu, >=98.0% (C/N)
AKOS025289383
AS-56841
L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl)1-(2,5-dioxo-1-pyrrolidinyl) ester
Boc-Asp(OBut)-OSu
Boc-Asp(OtBu)-Osu Boc-L-aspartic acidα-N-hydroxysuccinimide ester
Boc-L-Asp(OtBu)-OSu
Boc-L-Asp(tBu)-OSu
L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl)1-(2,5-dioxo-1-pyrroli...
BOC-L-ASPARTIC ACID-T-BUTYLESTER HYDROXYSUCCINIMIDESTER
N-t-BOC-L-asparticacid-t-butyl-succinimideester

MDL Number

MFCD00063389

FAQ

What are the physical and chemical properties of 1-(2,5-Dioxo-1-pyrrolidinyl) 4-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 50715-50-9)?

1-(2,5-Dioxo-1-pyrrolidinyl) 4-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate is a colorless crystalline compound with a molecular weight of approximately 432.5 g/mol. It is soluble in methanol and slightly soluble in water. The compound exhibits typical amide reactivity, with potential for nucleophilic substitution and esterification reactions. It has a melting point around 190-192°C.

How is 1-(2,5-Dioxo-1-pyrrolidinyl) 4-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 50715-50-9) typically synthesized?

This compound is typically synthesized through a multi-step process involving the protection of the aspartic acid, formation of the pyrrolidine ring, and subsequent derivatization. Commonly, the synthesis involves the use of various protecting groups and catalysts, with yields around 80-90%. The exact methodology may vary depending on the specific conditions and reagents used.

What industries use 1-(2,5-Dioxo-1-pyrrolidinyl) 4-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 50715-50-9)?

1-(2,5-Dioxo-1-pyrrolidinyl) 4-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate is primarily used in the pharmaceutical industry for the development of novel drugs. It may also be applied in the polymer industry for the synthesis of biomedical polymers, and in the sensor industry for the development of chemical sensors due to its reactivity and functional groups.

What precautions should be taken when handling 1-(2,5-Dioxo-1-pyrrolidinyl) 4-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-aspartate (CAS: 50715-50-9)?

When handling this compound, ensure proper personal protective equipment (PPE) is worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with care, using absorbent materials, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. This compound is not highly toxic but can cause skin and eye irritation.