Benzonitrile, 3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, monohydrochloride, rel- (9CI)

Base Information

• Chemical Name: Benzonitrile, 3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, monohydrochloride, rel- (9CI)
• CAS No.: 701977-22-2
• Molecular Formula: C₁₇H₁₇ClN₂*ClH
• Molecular Weight: 321.249
• Mol file: 701977-22-2.mol

Synonyms:Benzonitrile,3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, monohydrochloride, rel-(9CI); [3-(4-Chlorophenyl)-2-(S*)-(3-cyanophenyl)-1-(S*)-methylpropyl]aminehydrochloride

Chemical Property of Benzonitrile, 3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, monohydrochloride, rel- (9CI)

Chemical Property:

• PSA: 49.81000
• LogP: 5.38748
• Storage Temp.: -20°C

Purity/Quality:

99%, ^*data from raw suppliers

rel- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, monohydrochloride, rel- (9CI)

There total 10 articles about Benzonitrile, 3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, monohydrochloride, rel- (9CI) 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:

N-(1S,2S)-[2-(3-cyanophenyl)-3-(4-chlorophenyl)-1-methylpropyl]amine (732982-66-0,789490-07-9) → N-(1S,2S)-[2-(3-cyanophenyl)-3-(4-chlorophenyl)-1-methylpropyl]amine hydrochloride (610791-48-5,701977-22-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane;

Reference yield:

2-(N-tert-butoxycarbonyl)amino-4-(4-chlorophenyl)-3-(3-cyanophenyl)butane → N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]amine hydrochloride (610791-48-5,701977-22-2)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 0.5h;

DOI:10.1021/jm060996+

Reference yield:

3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-one (848310-98-5) → N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]amine hydrochloride (610791-48-5,701977-22-2)

Guidance literature:

Multi-step reaction with 6 steps

1: LiBH(sec-Bu)3 / tetrahydrofuran / 0.5 h / 0 °C

2: Et₃N / ethyl acetate / 0.5 h / 0 °C

3: NaN₃ / dimethylformamide / 1 h / 120 °C

4: H₂ / PtO₂ / ethyl acetate / 24 h

5: tris(dibenzylideneacetone)dipalladium chloroform complex; 1,1'-bis(diphenylphosphino)ferrocene / dimethylformamide; H₂O / 24 h / 120 °C

6: HCl / ethyl acetate / 0.5 h / 20 °C

With hydrogenchloride; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 1,1'-bis-(diphenylphosphino)ferrocene; sodium azide; hydrogen; L-Selectride; triethylamine; platinum(IV) oxide; In tetrahydrofuran; water; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm060996+

upstream raw materials:

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

4-chlorobenzyl bromide

methyl 2-(3-bromophenyl)acetatee

N-(1S,2S)-[2-(3-cyanophenyl)-3-(4-chlorophenyl)-1-methylpropyl]amine

Downstream raw materials:

taranabant

N-[(1R,2R)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide

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