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(S)-2-Amino-1-(3-chloro-phenyl)-ethanol, also known as 3-(Chloromethyl)benzylamine, is a chiral amine with the molecular formula C8H10ClNO. It is a versatile building block in organic synthesis, featuring both an amine group and a hydroxyl group. (S)-2-Amino-1-(3-chloro-phenyl)-ethanol has been utilized in the production of pharmaceuticals, agrochemicals, and specialty chemicals, and has potential applications in the synthesis of bioactive compounds and as a chiral ligand in asymmetric catalysis. Furthermore, it has been studied for its potential therapeutic effects in the treatment of neurological disorders and cancer.

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  • 168112-89-8 Structure
  • Basic information

    1. Product Name: (S)-2-Amino-1-(3-chloro-phenyl)-ethanol
    2. Synonyms: (S)-2-Amino-1-(3-chloro-phenyl)-ethanol;(1S)-2-Amino-1-(3-chlorophenyl)ethanol;a-(aMinoMethyl)-3-chloro-;(S)-alpha-(Aminomethyl)-3-chlorobenzenemethanol;[(S)-2-(3-Chlorophenyl)-2-hydroxyethyl]amine
    3. CAS NO:168112-89-8
    4. Molecular Formula: C8H10ClNO
    5. Molecular Weight: 171.62
    6. EINECS: N/A
    7. Product Categories: pharmacetical;API intermediates
    8. Mol File: 168112-89-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 319.809°C at 760 mmHg
    3. Flash Point: 147.215°C
    4. Appearance: /
    5. Density: 1.261g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.587
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (S)-2-Amino-1-(3-chloro-phenyl)-ethanol(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-2-Amino-1-(3-chloro-phenyl)-ethanol(168112-89-8)
    12. EPA Substance Registry System: (S)-2-Amino-1-(3-chloro-phenyl)-ethanol(168112-89-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 168112-89-8(Hazardous Substances Data)

168112-89-8 Usage

Uses

Used in Pharmaceutical Industry:
(S)-2-Amino-1-(3-chloro-phenyl)-ethanol is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to be incorporated into complex molecular structures, contributing to the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, (S)-2-Amino-1-(3-chloro-phenyl)-ethanol is used as a building block for the creation of novel agrochemicals, potentially enhancing crop protection and yield through targeted pest control and plant growth regulation.
Used in Specialty Chemicals:
(S)-2-Amino-1-(3-chloro-phenyl)-ethanol serves as a versatile component in the production of specialty chemicals, where its unique structural features allow for the development of high-value compounds used in various industrial applications.
Used in Synthesis of Bioactive Compounds:
(S)-2-Amino-1-(3-chloro-phenyl)-ethanol is utilized in the synthesis of bioactive compounds due to its potential to interact with biological systems, offering a route to discover new molecules with medicinal or health-promoting properties.
Used as a Chiral Ligand in Asymmetric Catalysis:
(S)-2-Amino-1-(3-chloro-phenyl)-ethanol is employed as a chiral ligand in asymmetric catalysis, a technique crucial for the production of enantiomerically pure compounds, which are essential in pharmaceuticals to ensure desired biological activity and minimize side effects.
Used in Therapeutic Research for Neurological Disorders:
(S)-2-Amino-1-(3-chloro-phenyl)-ethanol is studied for its potential as a therapeutic agent in the treatment of neurological disorders, given its capacity to interact with specific biological targets involved in these conditions.
Used in Cancer Research:
In cancer research, (S)-2-Amino-1-(3-chloro-phenyl)-ethanol is explored for its potential to target and affect cancer cells, offering a new avenue for the development of anticancer drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 168112-89-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,8,1,1 and 2 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 168112-89:
(8*1)+(7*6)+(6*8)+(5*1)+(4*1)+(3*2)+(2*8)+(1*9)=138
138 % 10 = 8
So 168112-89-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H10ClNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1

168112-89-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (1S)-2-amino-1-(3-chlorophenyl)ethanol

1.2 Other means of identification

Product number -
Other names Benzenemethanol,a-(aminomethyl)-3-chloro-,(aS)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:168112-89-8 SDS

168112-89-8Downstream Products

168112-89-8Relevant articles and documents

Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders

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Page/Page column 115-116, (2008/12/06)

Provided are compounds of the formula (I): or a stereoisomer, tautomer, salt, hydrate or prodrug thereof that modulate tyrosine kinase activity, compositions comprising the compounds and methods of their use.

Application of optically active 1,2-diol monotosylates for synthesis of β-azido and β-amino alcohols with very high enantiomeric purity. Synthesis of enantiopure (R)-octopamine, (R)-tembamide and (R)-aegeline

Tae Cho, Byung,Kyu Kang, Sang,Hye Shin, Sung

, p. 1209 - 1217 (2007/10/03)

A very convenient and highly efficient synthesis of near enantiopure β-azido and β-amino alcohols including biologically active substances such as (R)-octopamine, (R)-tembamide and (R)-aegeline from optically active 1,2-diol monotosylates is reported.

1,4-benzodioxin derivatives

-

, (2008/06/13)

PCT No. PCT/JP96/01252 Sec. 371 Date Nov. 12, 1997 Sec. 102(e) Date Nov. 12, 1997 PCT Filed May 13, 1996 PCT Pub. No. WO96/35685 PCT Pub. Date Nov. 14, 1996A 1,4-benzodioxin derivative represented by formula (I) wherein A is an aryl group or a (C3-C8)cycloalkyl group, R1 and R2 individually are a hydrogen atom, a halogen atom, an alkyl group, a trifluoromethyl group, an alkoxy group, an aryl group, an aryloxy group, or R1 and R2 together form a methylenedioxy group, R3 is a hydrogen atom or an alkyl group, R4 is a hydrogen atom or CO2R5, R5 is a hydrogen atom or an alkyl group, X is a radical of formula (II) or (III) wherein n is 1 or 2. The compounds are useful for a prophylactic or therapeutic agent for diabetes, hyperglycemia and obesity.

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