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

Basic Information

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CAS Number

59768-74-0

Molecular Formula

C10H17NO6

Molecular Weight

247.25 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 Physical Properties

Melting Point

61-71°C

Boiling Point

411℃ at 760 mmHg

Density

1.2090

Flash Point

202.682℃

Specific Rotation

-5° to -7° (c=2, MeOH)

SMILES

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

InChI

InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1

InChIKey

WFPSMPYVXFVVFA-LURJTMIESA-N

LogP

0.5273999999999994

Topological Polar Surface Area

101.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

306

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

(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid
Boc-L-aspartic Acid ?-Methyl Ester
MFCD00078971
AKOS010365904
59768-74-0
WFPSMPYVXFVVFA-LURJTMIESA-N
AC-8612
Boc-L-aspartic acid 4-methyl ester
BCP21995
AKOS015851609
(S)-2-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acid
(2S)-2-([(TERT-BUTOXY)CARBONYL]AMINO)-4-METHOXY-4-OXOBUTANOIC ACID
DTXSID20450548
SCHEMBL344762
AS-17635
HY-W007399
A26608
(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
(S)-2-((Boc)amino)-4-methoxy-4-oxobutanoic acid
EN300-199052
Boc-Asp(OMe)-OH
Boc-Asp(OMe)-OH, >=98.0% (TLC)
CS-W007399
(S)-2-(tert-butoxycarbonylamino)-4-methoxy-4-oxobutanoic acid
Boc-L-Aspartic acid 4-methyl ester
Boc-Asp(OMe)-OH DCHA
2-((tert-Butoxycarbonyl)amino)-4-methoxy-4-oxobutanoic acid
Boc-Asp(OMe)-OH.DCHA
Boc-L-aspartic Acid β-Methyl Ester
(2S)-2-[(tert-butoxy)carbonylamino]-3-(methoxycarbonyl)propanoic acid

MDL Number

MFCD00078971

Customs Code

2924199090

FAQ

What are the physical and chemical properties of (2S)-4-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 59768-74-0)?

(2S)-4-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid is a white crystalline solid with a molecular weight of approximately 288.35 g/mol. It has a solubility of about 0.63 g/100 mL in water and is slightly soluble in ethanol. The compound is reactive towards strong bases but stable under acidic conditions. It is prone to hydrolysis in the presence of moisture and heat.

How is (2S)-4-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 59768-74-0) typically synthesized?

(2S)-4-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid is synthesized via the condensation of 2-methyl-2-propanol with 4-methoxy-4-oxobutanoic acid, followed by amidation using a suitable amine. Commonly, this reaction is catalyzed by a strong acid such as trifluoroacetic acid, with a yield of around 70-80%. The reaction is conducted in a solvent like dichloromethane or ethanol.

What industries use (2S)-4-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 59768-74-0)?

(2S)-4-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid finds applications in pharmaceuticals, particularly as a precursor to medicinal compounds. It is also utilized in polymer science for the synthesis of biodegradable polymers and in the development of advanced sensor materials. Additionally, it has potential uses in semiconductor technology, though its primary application is in the pharmaceutical sector.

What precautions should be taken when handling (2S)-4-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid (CAS: 59768-74-0)?

Handling (2S)-4-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid requires caution due to its reactivity. Gloves, goggles, and a lab coat should always be worn. Work should be conducted in a well-ventilated area or a fume hood. Spills should be neutralized with a suitable base and cleaned up promptly. Safety data sheets (SDS) should be consulted for additional information and emergency procedures. The compound is not flammable but may hydrolyze if exposed to moisture or heat, thus maintaining a dry environment is crucial.