(R)-1-(3-Chloro-4-fluorophenyl)ethanamine hydrochloride

Base Information

• Chemical Name: (R)-1-(3-Chloro-4-fluorophenyl)ethanamine hydrochloride
• CAS No.: 1257106-65-2
• Molecular Formula: C₈H₉ClFN*ClH
• Molecular Weight: 210.079
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID50693623
• Mol file: 1257106-65-2.mol

Synonyms:1257106-65-2;(R)-1-(3-Chloro-4-fluorophenyl)ethanamine hydrochloride;(R)-1-(3-Chloro-4-Fluorophenyl)Ethanamine HCl;(R)-1-(3-Chloro-4-fluorophenyl) ethanamine HCl;(1R)-1-(3-chloro-4-fluorophenyl)ethanamine;hydrochloride;MFCD06761889;(1r)-1-(3-chloro-4-fluoro-phenyl)ethanaMine HCl;SCHEMBL3693820;(R)-1-(3-Chloro-4-fluorophenyl)ethanaminehydrochloride;DTXSID50693623;PNZRFOSIIFHDFS-NUBCRITNSA-N;AM8851;AKOS015844292;AKOS015968942;Benzenemethanamine, 3-chloro-4-fluoro-alpha-methyl-, hydrochloride (1:1), (alphaR)-;DS-14018;CS-0136090;Y10301;A889979;(1r)-1-(3-chloro-4-fluoro-phenyl)ethanamine hydrochloride;(R)-1-(3-Chloro-4-fluorophenyl)-ethanamine hydrochloride;(1R)-1-(3-chloro-4-fluorophenyl)ethan-1-amine hydrochloride;(R)-1-(3-Chloro-4-fluorophenyl)ethan-1-amine hydrochloride;(1R)-1-(3-Chloro-4-fluorophenyl)ethan-1-amine--hydrogen chloride (1/1)

Chemical Property of (R)-1-(3-Chloro-4-fluorophenyl)ethanamine hydrochloride

Chemical Property:

• PSA: 26.02000
• LogP: 4.00110
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.0174329
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

98% ^*data from raw suppliers

(R)-1-(3-Chloro-4-fluorophenyl)ethanaminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=C(C=C1)F)Cl)N.Cl
• Isomeric SMILES: C[C@H](C1=CC(=C(C=C1)F)Cl)N.Cl

Technology Process of (R)-1-(3-Chloro-4-fluorophenyl)ethanamine hydrochloride

There total 3 articles about (R)-1-(3-Chloro-4-fluorophenyl)ethanamine hydrochloride 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: 65.0%

C12H17ClFNOS → (1S)-1-(3-chloro-4-fluorophenyl)ethylamine hydrochloride (2413817-93-1,1257106-65-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; for 4h;

Reference yield:

3-Chloro-4-fluorobenzaldehyde (34328-61-5) → (1S)-1-(3-chloro-4-fluorophenyl)ethylamine hydrochloride (2413817-93-1,1257106-65-2)

Guidance literature:

Multi-step reaction with 3 steps

1: titanium(IV) tetraethanolate / dichloromethane / 20 h

2: tetrahydrofuran / 19 h / -40 - 20 °C

3: hydrogenchloride / water; 1,4-dioxane / 4 h

With hydrogenchloride; titanium(IV) tetraethanolate; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water;

Reference yield:

(R)-N-[(3-chloro-4-fluorophenyl)methylene]-2-methylpropane-2-sulfinamide → (1S)-1-(3-chloro-4-fluorophenyl)ethylamine hydrochloride (2413817-93-1,1257106-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 19 h / -40 - 20 °C

2: hydrogenchloride / water; 1,4-dioxane / 4 h

With hydrogenchloride; In tetrahydrofuran; 1,4-dioxane; water;

upstream raw materials:

3-Chloro-4-fluorobenzaldehyde

Refernces