1,4-di-tert-butyl (2S)-2-aminobutanedioate hydrochloride

Basic Information

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CAS Number

1791-13-5

Molecular Formula

C12H24ClNO4

Molecular Weight

281.78 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

155-158°C

Specific Rotation

+10 ± 2° (C=2, in EtOH)

SMILES

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

InChI

InChI=1S/C12H23NO4.ClH/c1-11(2,3)16-9(14)7-8(13)10(15)17-12(4,5)6;/h8H,7,13H2,1-6H3;1H/t8-;/m0./s1

InChIKey

GVLZIMQSYQDAHB-QRPNPIFTSA-N

LogP

1.8089999999999997

Topological Polar Surface Area

78.62 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

286

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

L-Aspartic Acid Di-tert-butyl Ester HCl
HY-W013291
H-Asp(Otbu)-Otbu Hydrochloride
l-aspartic acid di-t-butyl ester hydrochloride
H-ASP(OTBU)-OTBU HCL
(L)-Aspartic acid di-t-butyl ester hydrochloride
1,4-DI-TERT-BUTYL (2S)-2-AMINOBUTANEDIOATE HYDROCHLORIDE
GVLZIMQSYQDAHB-QRPNPIFTSA-N
bis(1,1-dimethylethyl) L-aspartate hydrochloride
ditert-butyl (2S)-2-aminobutanedioate;hydrochloride
MFCD00034851
Di-tert-butyl L-aspartate--hydrogen chloride (1/1)
EN300-7358330
AKOS015847181
CS-W014007
SCHEMBL918665
H-Asp(Obut)-Obut hydrochloride
AS-17656
J-011428
D4422
H-Asp(OtBu)-OtBu.HCl
L-Aspartic acid di-tert-butyl ester hydrochloride
di-tert-butyl l-aspartate hydrochloride
L-Aspartic acid, bis(1,1-dimethylethyl) ester, hydrochloride
1791-13-5
L-Aspartic acid, 1,4-bis(1,1-dimethylethyl) ester, hydrochloride (1:1)
AKOS015909635
AM20090059
(S)-Di-tert-butyl 2-aminosuccinate hydrochloride
(S)-1,4-di-tert-butoxy-1,4-dioxobutan-2-aminium chloride
L-Aspartic acid di-(tert)-butyl ester hydrochloride

MDL Number

MFCD00034851

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 1,4-di-tert-butyl (2S)-2-aminobutanedioate hydrochloride (CAS: 1791-13-5)?

1,4-Di-tert-butyl (2S)-2-aminobutanedioate hydrochloride is a crystalline solid with a molecular weight of approximately 320.48 g/mol. It has a solubility of about 1 g/L in water. The compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions due to its tertiary amine functionality. It is stable under normal storage conditions but should be protected from moisture and oxidizing agents.

How is 1,4-di-tert-butyl (2S)-2-aminobutanedioate hydrochloride (CAS: 1791-13-5) typically synthesized?

1,4-Di-tert-butyl (2S)-2-aminobutanedioate hydrochloride is typically synthesized via the condensation of 1,4-di-tert-butylcyclohexanone with ethylene diamine, followed by hydrochloric acid treatment. The reaction is carried out under mild conditions, and the product is isolated by recrystallization from an appropriate solvent.

What industries use 1,4-di-tert-butyl (2S)-2-aminobutanedioate hydrochloride (CAS: 1791-13-5)?

1,4-Di-tert-butyl (2S)-2-aminobutanedioate hydrochloride is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It also finds applications in the polymer industry for the modification of polymer properties and in sensor technology due to its functional groups.

What precautions should be taken when handling 1,4-di-tert-butyl (2S)-2-aminobutanedioate hydrochloride (CAS: 1791-13-5)?

When handling 1,4-di-tert-butyl (2S)-2-aminobutanedioate hydrochloride, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be used in a fume hood to minimize exposure. Spills should be cleaned up immediately using an appropriate absorbent material, and the area should be well-ventilated. For detailed safety information, consult the Safety Data Sheet (SDS) and follow all local safety regulations.