(3S)-4-[(2-Methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid

Basic Information

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CAS Number

34582-32-6

Molecular Formula

C13H23NO6

Molecular Weight

289.33 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

101.0 to 106.0 deg-C

Boiling Point

429°C at 760 mmHg

Flash Point

213.3°C

Refractive Index

1.47

Specific Rotation

-25° (c=1 in MeOH)

SMILES

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

InChI

InChI=1S/C13H23NO6/c1-12(2,3)19-10(17)8(7-9(15)16)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,16)/t8-/m0/s1

InChIKey

RAUQRYTYJIYLTF-QMMMGPOBSA-N

LogP

1.6960999999999997

Topological Polar Surface Area

101.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

377

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MFCD00038272
1-tert-Butyl N-(tert-Butoxycarbonyl)-L-aspartate
Boc-L-Asp-OtBu
N-(tert-Butoxycarbonyl)-L-aspartic Acid 1-tert-Butyl Ester
DTXSID40426664
34582-32-6
AC-8610
Boc-Asp-OtBu, >=97.0% (TLC)
(3S)-4-tert-butoxy-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid
Boc-Asp-O-t-Butyl
(s)-4-t-butoxy-3-(t-butoxycarbonylamino)-4-oxobutanoic acid
CS-W007573
(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Boc-Asp-OtBu
Boc-L-Aspartic acid 1-tert-butyl ester
AKOS015892678
N-alpha-t-Butyloxycarbonyl-L-aspartic acid-alpha-t-butylester
F0001-1005
EN300-205979
HY-W007573
PD196485
N-Boc-L-aspartic Acid 1-tert-Butyl Ester
Q-102762
SCHEMBL1235160
B4618
(S)-4-tert-butoxy-3-(tert-butoxycarbonylamino)-4-oxobutanoic acid
RAUQRYTYJIYLTF-QMMMGPOBSA-N
N-tert-butyloxycarbonyl-O-tert-butyl-L-aspartic acid
N-Boc-L-aspartic Acid 1-(tert-Butyl) Ester
DS-1659
(3S)-4-(tert-butoxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid

MDL Number

MFCD00038272

FAQ

What are the physical and chemical properties of (3S)-4-[(2-Methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 34582-32-6)?

The compound (3S)-4-[(2-Methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid has a crystalline form and a molecular weight of approximately 306.45 g/mol. It is slightly soluble in water and ethanol. The compound is reactive, particularly towards nucleophilic substitution and condensation reactions.

How is (3S)-4-[(2-Methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 34582-32-6) typically synthesized?

This compound is typically synthesized through a multistep process involving esterification, amidation, and ester hydrolysis reactions. Common catalysts include acid or base catalysts. The yield and selectivity of the synthesis depend on the reaction conditions and the choice of reagents.

What industries use (3S)-4-[(2-Methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 34582-32-6)?

This compound is used in the pharmaceutical industry for the synthesis of complex organic molecules. It may also be utilized in the polymer industry for the development of specific polymer architectures. Additionally, it can be employed in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (3S)-4-[(2-Methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 34582-32-6)?

When handling (3S)-4-[(2-Methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid, use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. In case of a spill, follow the safety data sheet (SDS) guidelines for clean-up and disposal. Ensure proper storage in a cool, dry place away from direct sunlight and heat sources.