Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-

Base Information

• Chemical Name: Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-
• CAS No.: 732982-66-0
• Molecular Formula: C17H17 Cl N2
• Molecular Weight: 284.788
• Mol file: 732982-66-0.mol

Synonyms:Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-

Chemical Property of Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 402.54°C at 760 mmHg
• Flash Point: 197.25°C
• PSA: 49.81000
• Density: 1.179g/cm³
• LogP: 4.58548

Purity/Quality:

97% ^*data from raw suppliers

3-[(1S,2S)-2-AMINO-1-[(4-CHLOROPHENYL)METHYL]PROPYL]-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Use Description: 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]benzonitrile is a chemical compound with potential applications in various fields. In the pharmaceutical industry, it may be used as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of medications that target specific receptors or pathways in the human body. Its role in drug synthesis can contribute to advancements in the treatment of various medical conditions. Additionally, in the field of chemical research, it could serve as a valuable tool for studying the chemistry of amino compounds and their reactions, aiding in the understanding of chemical processes. Its adaptability as an intermediate and research tool underscores its significance in advancing pharmaceutical research and chemical investigations in different fields.

Technology Process of Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-

There total 6 articles about Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-(4-chlorophenyl)-3-(3-cyanophenyl)-2-azidobutane (958851-01-9) → N-(1S,2S)-[2-(3-cyanophenyl)-3-(4-chlorophenyl)-1-methylpropyl]amine (732982-66-0,789490-07-9)

Guidance literature:

With hydrogen; Lindlar's catalyst; In Isopropyl acetate; at 20 - 45 ℃; for 72h; under 2068.65 Torr;

Reference yield:

3-((2S,3S)-3-azido-1-(4-chlorophenyl)butan-2-yl)benzonitrile → N-(1S,2S)-[2-(3-cyanophenyl)-3-(4-chlorophenyl)-1-methylpropyl]amine (732982-66-0,789490-07-9)

Guidance literature:

With triphenylphosphine; In water; toluene; at 70 ℃; for 8h;

DOI:10.1016/j.tet.2007.10.056

Reference yield:

4-(4-chlorophenyl)-3-(3-cyanophenyl)-2-butanol → N-(1S,2S)-[2-(3-cyanophenyl)-3-(4-chlorophenyl)-1-methylpropyl]amine (732982-66-0,789490-07-9)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / toluene / 0.08 h / 0 °C

2: sodium azide / N,N-dimethyl-formamide / 7 h / 70 °C

3: hydrogen / Lindlar's catalyst / Isopropyl acetate / 72 h / 20 - 45 °C / 2068.65 Torr

With sodium azide; hydrogen; triethylamine; Lindlar's catalyst; In Isopropyl acetate; N,N-dimethyl-formamide; toluene;

upstream raw materials:

4-(4-chlorophenyl)-3-(3-cyanophenyl)-2-azidobutane

3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-one

4-(4-chlorophenyl)-3-(3-cyanophenyl)-2-methylsulfonyloxybutane

4-(4-chlorophenyl)-3-(3-bromophenyl)-2-butanol

Downstream raw materials:

taranabant

N-[(1S,2S)-2-(3-cyanophenyl)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-methyl-2-[(5-methylpyridin-2-yl)oxy]propanamide

tert-butyl [(1S,2S)-3-(4-hydroxyphenyl)-2-(3-cyanophenyl)-1-methylpropyl]carbamate

tert-butyl {(1S,2S)-2-(3-cyanophenyl)-1-methyl-3-[4-(4,4,5,6-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}carbamate