(3S)-3-[(tert-butoxycarbonyl)amino]butanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]butanoic acid - Names and Identifiers

Name	(S)-N-Boc-3-aminobutyric acid
Synonyms	Boc-β-HoAla-OH BOC-ALA-(C*CH2)OH BOC-BETA-HOALA-OH (S)-BOC-B2-HOALA-OH BOC-BETA-HOMOALA-OH (S)-BOC-BETA2-HAL-OH BOC-L-BETA-HOMOALANINE (S)-BOC-BETA2-HOMOALANINE (S)-N-Boc-3-aminobutyric acid BOC PROTECTED (S)-B-AMINOBUTYRIC ACID (3S)-3-[(tert-butoxycarbonyl)amino]butanoic acid
CAS	158851-30-0
EINECS	1312995-182-4
InChI	InChI=1/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKey	PYNDHEONPQYIAN-LURJTMIESA-N

(3S)-3-[(tert-butoxycarbonyl)amino]butanoic acid - Physico-chemical Properties

Molecular Formula	C9H17NO4
Molar Mass	203.24
Density	1.101±0.06 g/cm3(Predicted)
Melting Point	99 °C
Boling Point	339.5±25.0 °C(Predicted)
Flash Point	159.1°C
Water Solubility	Slightly soluble in water.
Vapor Presure	1.69E-05mmHg at 25°C
Appearance	Solid
Color	White to light yellow
BRN	6800577
pKa	4.43±0.10(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.46
MDL	MFCD00270345
Physical and Chemical Properties	Storage Conditions: Store? 0-5℃ WGK Germany:3

(3S)-3-[(tert-butoxycarbonyl)amino]butanoic acid - Risk and Safety

Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes.
WGK Germany	3
Hazard Class	IRRITANT

(3S)-3-[(tert-butoxycarbonyl)amino]butanoic acid - Introduction

(S)-N-Boc-3-aminobutyric acid is a compound with the following properties:

1. Appearance: colorless or yellowish solid.
2. Molecular formula: C13H23NO4.
3. Molecular Weight: 261.33.
4. Solubility: Soluble in organic solvents such as chloroform, dichloromethane and methanol.

The main use of (S)-N-Boc-3-aminobutyric acid is as an introducing agent for amino acid protecting groups in organic synthesis. By protecting the amino group on the side chain of the amino acid, it can control the reaction selectivity and prevent unnecessary reactions of other groups in the amino acid. In addition,(S)-N-Boc-3-aminobutyric acids can also be used in the preparation of polypeptides and in drug discovery processes.

The preparation method of (S)-N-Boc-3-aminobutyric acid is to use L-β-homoalanine as the starting material, and react with tert-butoxycarbonyl (t-Boc) acylation reaction, A t-Boc protecting group is introduced on the amino group of β-homoalanine.

When using (S)-N-Boc-3-aminobutyric acid, you need to pay attention to the following security information:

1. Avoid direct contact with eyes, skin and clothing. Appropriate protective equipment such as lab gloves and goggles may be worn.
2. In the operation should pay attention to the well ventilated laboratory environment, avoid inhalation of gas, vapor or splash.
3. Storage should be sealed in a dry, cool place, away from the fire and oxidant.
4. In the event of accidental contact or ingestion of this compound, seek medical attention immediately and provide the packaging container or label to a doctor for diagnosis.

Please note that the above information is for reference only and that proper laboratory practices and safe operating procedures must be followed when using and handling chemicals.

Last Update：2024-04-09 21:21:28