(2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid

Basic Information

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CAS Number

64960-75-4

Molecular Formula

C8H15NO4

Molecular Weight

189.21 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 Amines

Basic Physical Properties

Melting Point

331-339°C

Density

1.162

Specific Rotation

-6.5° (c=1% in H2O)

SMILES

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CC(C)(C)OC(=O)CC(C(=O)O)N

InChI

InChI=1S/C8H15NO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4,9H2,1-3H3,(H,11,12)/t5-/m1/s1

InChIKey

MXWMFBYWXMXRPD-RXMQYKEDSA-N

LogP

0.13010000000000016

Topological Polar Surface Area

89.62 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

207

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

(2R)-2-amino-4-(tert-butoxy)-4-oxobutanoic acid
EN300-172592
H-D-Asp(OtBu)-OH
(R)-2-Amino-4-(tert-butoxy)-4-oxobutanoic acid
AKOS006282321
HY-W015233
CS-W015949
D-ASPARTIC ACID 4-TERT-BUTYL ESTER
A834921
DTXSID80427039
(2R)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SCHEMBL38111
(2R)-2-azaniumyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
AC-19192
AMY31273
64960-75-4
(2R)-2-amino-4-tert-butoxy-4-oxo-butanoic acid
AS-17647
Q-102719
P15797
Z1198150106
MFCD00077101
AC-8649
D-Aspartic acid 4-tert-butyl ester
D-Aspartic acid beta-tert-butyl ester
D-Aspartic acid 4-(1,1-dimethylethyl) ester
H-D-ASP(TBU)-OH
H-D-Asp(tBu)-OH*H2O

MDL Number

MFCD00077101

Customs Code

2922509090

FAQ

What are the physical and chemical properties of (2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 64960-75-4)?

The compound (2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 64960-75-4) is a crystalline solid with a molecular weight of approximately 190.32 g/mol. It has a pKₐ value around 2.2 and is soluble in water and ethanol. This compound is known for its reactivity, particularly towards nucleophilic substitution reactions and condensation reactions. It is used in various applications due to its unique structural features.

How is (2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 64960-75-4) typically synthesized?

The synthesis of (2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 64960-75-4) is typically achieved through a multi-step process involving the condensation of 2-methyl-2-propanol with 2-amino-4-oxobutanoic acid. Common catalysts include phosphorus oxychloride or a combination of thionyl chloride and pyridine. The overall yield can be improved by optimizing reaction conditions and using high purity starting materials.

What industries use (2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 64960-75-4)?

This compound (2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 64960-75-4) finds application in the pharmaceutical and polymer industries. It is used as a precursor in the synthesis of certain drugs and also as a monomer in the production of polymers with specific properties. Additionally, it can be utilized in the manufacturing of sensors and semiconductors for its structural and functional characteristics.

What precautions should be taken when handling (2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 64960-75-4)?

When handling (2R)-2-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 64960-75-4), it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it should be neutralized with a suitable acid or base and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.