1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride

Basic Information

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CAS Number

69630-50-8

Molecular Formula

C6H12ClNO4

Molecular Weight

197.62 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

80-90°C

Specific Rotation

-14.8 (c=1, CH3OH)

SMILES

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COC(=O)CC(C(=O)OC)N.Cl

InChI

InChI=1S/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H/t4-;/m1./s1

InChIKey

PNLXWGDXZOYUKB-PGMHMLKASA-N

LogP

-0.5284000000000002

Topological Polar Surface Area

78.62 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

157

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

H-D-Asp(OMe)-OMe HCl
1,4-DIMETHYL (2R)-2-AMINOBUTANEDIOATE HYDROCHLORIDE
EN300-7374572
D-Aspartic acid, dimethyl ester, hydrochloride
CS-W022739
AS-12772
D-Aspartic acid,1,4-dimethyl ester,hydrochloride(1:1)
D-Aspartic Acid Dimethyl Ester HCl
dimethyl (2R)-2-aminobutanedioate hydrochloride
D-ASPARTIC ACID-1,4-DIMETHYL ESTER HYDROCHLORIDE
A851363
PNLXWGDXZOYUKB-PGMHMLKASA-N
(R)-Dimethyl 2-aminosuccinate hydrochloride
HY-W041999
MFCD00070384
D-Aspartic aciddimethyl esterhydrochloride
DTXSID40989744
Dimethyl aspartate--hydrogen chloride (1/1)
D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE
J-300081
Dimethyl D-aspartate hydrochloride
AM83145
Q-101793
H-D-Asp(diOMe). HCl
H-D-Asp(Me)-OMe hydrochloride
SCHEMBL8968568
69630-50-8
AKOS015846467
AKOS006346462
D-Aspartic acid dimethyl ester, HCl
S-69630-50-8

MDL Number

MFCD00070384

FAQ

What are the physical and chemical properties of 1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride (CAS: 69630-50-8)?

1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride is a white crystalline powder with a molecular weight of approximately 231.78 g/mol. It has a solubility of about 12 g per 100 mL in water at 25°C. This compound is reactive, particularly under acidic conditions, and shows moderate reactivity towards nucleophiles.

How is 1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride (CAS: 69630-50-8) typically synthesized?

1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride is typically synthesized by the reaction of 1,4-dimethyl-2-aminobutanedioic acid with hydrochloric acid. The reaction is usually conducted in a solvent such as methanol or ethanol with a yield of around 85-90%. Common catalysts include triethylamine and other basic reagents.

What industries use 1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride (CAS: 69630-50-8)?

1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for the modification of polymer properties. Additionally, it has applications in sensors and semiconductors for its unique chemical structure.

What precautions should be taken when handling 1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride (CAS: 69630-50-8)?

When handling 1,4-dimethyl (2R)-2-aminobutanedioate hydrochloride, it is important to wear proper personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. Spills should be handled by sweeping up and disposing of in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.