tert-butyl (2S)-2-aminopropanoate hydrochloride

Basic Information

View in Editor

CAS Number

13404-22-3

Molecular Formula

C7H16ClNO2

Molecular Weight

181.66 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

220-230°C

Boiling Point

206.8 °C at 760 mmHg

Density

0.9880

Flash Point

78.9℃

Solubility

Soluble in methanol.

Refractive Index

2.0 ° (C=2, EtOH)

Specific Rotation

+1 ~ +3° (c=2% in ethanol)

SMILES

View in Editor

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

InChI

InChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m0./s1

InChIKey

WIQIWPPQGWGVHD-JEDNCBNOSA-N

LogP

1.0971000000000002

Topological Polar Surface Area

52.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

126

Safety Information

View Safety Information

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

Sensitiveness

Hygroscopic

Synonyms & References

English

MFCD00035524
EINECS 236-497-8
[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium;chloride
H-Ala-OtBu hydrochloride
alanine t-butyl ester HCl salt
L-alanine-t-butyl ester hydrochloride
HY-W007722
L-alanine, t-butyl ester, hydrochloride
L-alanine-tert-butylester, hydrochloride
FD21007
L-Alanine-tert-butyl ester hydrochloride
L-alanine t-butylester hydrochloride
L-alanine-O-t-butyl ester hydrochloride
EN300-106811
L-Alanine, 1,1-dimethylethyl ester, hydrochloride
L-Alanine tert-butyl ester hydrochloride, >=99.0% (AT)
alanine-O-tert-butyl ester hydrogen chloride salt
L-Ala-OtBu.HCl
SCHEMBL214837
L-alanine t-butyl ester hydrochloride
13404-22-3
Q-101770
AC-19164
CS-W007722
alanine, tert-butyl ester hydrochloride
Tert-butyl (2S)-2-aminopropanoate Hydrochloride
WIQIWPPQGWGVHD-JEDNCBNOSA-N
tert-Butyl alaninate HCl
(L)-Alanine-t-butyl ester hydrochloride
tert-butyl (2S)-2-aminopropanoate;hydrochloride
H-Ala-OtBu inverted exclamation mark currencyHCl

MDL Number

MFCD00035524

Customs Code

2922499990

FAQ

What is tert-butyl (2S)-2-aminopropanoate hydrochloride (CAS: 13404-22-3)?

Tert-butyl (2S)-2-aminopropanoate hydrochloride, also known as tert-butyl L-aminopropanoate hydrochloride, is a chiral compound with the chemical formula C7H15NO2.HCl. It is a white crystalline solid with a distinct odor. It is soluble in water and has a melting point of around 165°C.

What are the main uses of tert-butyl (2S)-2-aminopropanoate hydrochloride (CAS: 13404-22-3)?

Tert-butyl (2S)-2-aminopropanoate hydrochloride is primarily used as a chiral auxiliary in the synthesis of pharmaceuticals, particularly in the production of optically active compounds. It is also used in the preparation of prodrugs and as a chiral ligand in asymmetric synthesis.

Is tert-butyl (2S)-2-aminopropanoate hydrochloride (CAS: 13404-22-3) safe?

Tert-butyl (2S)-2-aminopropanoate hydrochloride is generally considered safe when handled properly. It is not highly toxic but can cause irritation to the eyes and skin. It is important to handle the compound in a well-ventilated area and wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. Storage and disposal should follow local regulations.

How should tert-butyl (2S)-2-aminopropanoate hydrochloride (CAS: 13404-22-3) be stored?

Tert-butyl (2S)-2-aminopropanoate hydrochloride should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a closed container to prevent moisture absorption. The storage temperature should not exceed 30°C, and humidity levels should be kept below 50%. Proper labeling is essential to ensure safe handling.