2-[(1S)-1-Aminoethyl]-4-chlorophenol

Basic Information

View in Editor

CAS Number

1228569-39-8

Molecular Formula

C8H10ClNO

Molecular Weight

171.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

CC(C1=C(C=CC(=C1)Cl)O)N

InChI

InChI=1S/C8H10ClNO/c1-5(10)7-4-6(9)2-3-8(7)11/h2-5,11H,10H2,1H3/t5-/m0/s1

InChIKey

IHDFZQZUBQSKDM-YFKPBYRVSA-N

LogP

2.0653

Topological Polar Surface Area

46.25 Å²

Hydrogen Bond Donor/Acceptor

3 / 2

Complexity

131

Synonyms & References

English

A890934
AKOS012671607
BS-51614
2-[(1S)-1-aminoethyl]-4-chlorophenol
MFCD06762060
EN300-1968744
1228569-39-8
(S)-2-(1-aminoethyl)-4-chlorophenol

MDL Number

MFCD06762060

FAQ

What are the physical and chemical properties of 2-[(1S)-1-Aminoethyl]-4-chlorophenol (CAS: 1228569-39-8)?

2-[(1S)-1-Aminoethyl]-4-chlorophenol is a white crystalline solid with a molecular weight of approximately 227.58 g/mol. It has a solubility of about 0.2 g/L in water and is slightly soluble in ethanol. The compound is reactive and can undergo substitution and elimination reactions. It is not flammable but is corrosive to some metals and may irritate the skin and eyes if exposed.

How is 2-[(1S)-1-Aminoethyl]-4-chlorophenol (CAS: 1228569-39-8) typically synthesized?

2-[(1S)-1-Aminoethyl]-4-chlorophenol can be synthesized via a multistep process involving the reaction of 4-chlorophenol with ethylamine. The key steps include the substitution of the chlorine atom with aminoethyl group. Catalysts such as sodium ethoxide or potassium hydroxide are used to improve yield and selectivity. The overall process involves protecting the phenolic hydroxyl group, amide formation, and subsequent deprotection to yield the desired product.

What industries use 2-[(1S)-1-Aminoethyl]-4-chlorophenol (CAS: 1228569-39-8)?

2-[(1S)-1-Aminoethyl]-4-chlorophenol is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of specific drug candidates. It is also utilized in the polymer industry for the modification of polymers and in the production of sensors and semiconductors for electronics. Additionally, it plays a role in the development of certain chemical intermediates and specialty chemicals.

What precautions should be taken when handling 2-[(1S)-1-Aminoethyl]-4-chlorophenol (CAS: 1228569-39-8)?

When handling 2-[(1S)-1-Aminoethyl]-4-chlorophenol, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be contained and cleaned up using appropriate neutralizing agents. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines to ensure safety and compliance.