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

Basic Information

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CAS Number

1676-90-0

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

61.0 to 65.0 deg-C

Boiling Point

432.6°C at 760 mmHg

Density

1.139

Flash Point

215.4℃

Solubility

Soluble in methanol and dimethyl sulfoxide.

Refractive Index

1.47

Specific Rotation

2 º (c=1% in MeOH)

SMILES

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

InChI

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

InChIKey

PHJDCONJXLIIPW-QMMMGPOBSA-N

LogP

1.6961000000000002

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL343678
tert-Butyloxycarbonyl-L-aspartic acid 4-tert-butyl ester
N-alpha-t-Butyloxycarbonyl-L-aspartic acid beta-t-butylester
(S)-2-tert-butoxycarbonylamino-succinic acid 4-tert-butyl ester
4-tert-Butyl N-(tert-Butoxycarbonyl)-L-aspartate
Boc-L-aspartic acid 4-tert-butyl ester
AM20090006
(S)-4-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid
N-Boc-L-aspartic Acid 4-tert-Butyl Ester
PHJDCONJXLIIPW-QMMMGPOBSA-N
EN300-386209
2-(Cyclohepta-2,4-dienyl)-1,3-diphenylpropane-1,3-dione
Boc-L-Asp(tBu)-OH
(S)-4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid
AKOS015909633
N-Alpha-t-Boc-L-aspartic acid beta-t-butyl ester
HY-W002326
M03268
Boc-Asp(OtBu)-OH
GS-3226
(S)-4-t-butoxy-2-(t-butoxycarbonylamino)-4-oxobutanoic acid
4-tert-Butyl N-Boc-L-aspartate
Boc-Asp(OtBu)-OH, >=99.0% (sum of enantiomers, TLC)
BOC--Asp(OtBu)--OH
(2S)-4-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid
AKOS015924099
N-tert-butoxycarbonyl-L-aspartic acid 4-tert-butyl ester
J-010387
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
N-tert-Butyloxycarbonyl-L-aspartic Acid b-tert-Butyl Ester
N-Boc-Asp(O-t-Bu)OH

MDL Number

MFCD00076912

Customs Code

2924199090

FAQ

What are the physical and chemical properties of (2S)-4-[(2-Methyl-2-propanyl)oxy]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 1676-90-0)?

This compound is a crystalline solid with a molecular weight of approximately 324.43 g/mol. It is poorly soluble in water but soluble in organic solvents. It exhibits typical ester and amide reactivity, making it useful in organic synthesis and pharmaceutical applications.

How is (2S)-4-[(2-Methyl-2-propanyl)oxy]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 1676-90-0) typically synthesized?

This compound can be synthesized via a multistep process involving protection of the hydroxyl group, formation of the amide, and subsequent deprotection. Commonly used catalysts include acids or bases, and the reaction conditions are optimized for high yield and selectivity.

What industries use (2S)-4-[(2-Methyl-2-propanyl)oxy]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 1676-90-0)?

This compound finds applications in the pharmaceutical industry for the synthesis of biologically active compounds, and in the polymer industry for the modification of polymer properties. It is also used in sensor technology for detecting specific analytes.

What precautions should be taken when handling (2S)-4-[(2-Methyl-2-propanyl)oxy]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 1676-90-0)?

Proper personal protective equipment (PPE) such as gloves and goggles should be worn when handling this compound. It should be stored in a fume hood to minimize exposure. In case of spill, it should be cleaned up with appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.