(R)-1-(3-Fluorophenyl)propan-1-amine hydrochloride

Base Information

• Chemical Name: (R)-1-(3-Fluorophenyl)propan-1-amine hydrochloride
• CAS No.: 1168139-41-0
• Molecular Formula: C9H12FN.ClH
• Molecular Weight: 189.66
• DSSTox Substance ID: DTXSID90704161
• Mol file: 1168139-41-0.mol

Synonyms:1168139-41-0;(R)-1-(3-Fluorophenyl)propan-1-amine hydrochloride;(R)-1-(3-FLUOROPHENYL)PROPAN-1-AMINE-HCl;(R)-1-(3-Fluorophenyl)propan-1-aminehydrochloride;(1R)-1-(3-fluorophenyl)propan-1-amine hydrochloride;(1R)-1-(3-fluorophenyl)propan-1-amine;hydrochloride;(R)-1-(3-FLUOROPHENYL)PROPAN-1-AMINE HCl;DTXSID90704161;AM8898;MFCD12757045;AKOS015923141;AKOS016003837;GS-7309;CS-0441655;EN300-7409858;A893493;(1R)-1-(3-Fluorophenyl)propan-1-amine--hydrogen chloride (1/1);Benzenemethanamine, alpha-ethyl-3-fluoro-, hydrochloride (1:1), (alphaR)-

Chemical Property of (R)-1-(3-Fluorophenyl)propan-1-amine hydrochloride

Chemical Property:

• PSA: 26.02000
• LogP: 3.73780
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.0720553
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99%, ^*data from raw suppliers

(R)-1-(3-Fluorophenyl)propan-1-amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (R)-1-(3-Fluorophenyl)propan-1-amine hydrochloride

There total 4 articles about (R)-1-(3-Fluorophenyl)propan-1-amine 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: 80.0%

(SS)-N-[(1R)-1-(3-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide (1448902-48-4) → (1R)-1-(3-fluorophenyl)propan-1-amine hydrochloride (1168139-41-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 0.666667h;

DOI:10.1016/j.bmc.2013.06.057

Reference yield:

1-(3-fluorophenyl)propan-1-one (455-67-4) → (1R)-1-(3-fluorophenyl)propan-1-amine hydrochloride (1168139-41-0)

Guidance literature:

Multi-step reaction with 3 steps

1: titanium(IV) tetraethanolate / tetrahydrofuran / 5.5 h / 70 °C

2: L-Selectride / tetrahydrofuran / 1.08 h / Cooling with ice

3: hydrogenchloride / methanol; 1,4-dioxane / 0.67 h / 20 °C

With hydrogenchloride; titanium(IV) tetraethanolate; L-Selectride; In tetrahydrofuran; 1,4-dioxane; methanol;

DOI:10.1016/j.bmc.2013.06.057

Reference yield:

C13H18FNOS → (1R)-1-(3-fluorophenyl)propan-1-amine hydrochloride (1168139-41-0)

Guidance literature:

Multi-step reaction with 2 steps

1: L-Selectride / tetrahydrofuran / 1.08 h / Cooling with ice

2: hydrogenchloride / methanol; 1,4-dioxane / 0.67 h / 20 °C

With hydrogenchloride; L-Selectride; In tetrahydrofuran; 1,4-dioxane; methanol;

DOI:10.1016/j.bmc.2013.06.057

upstream raw materials:

(S_S)-N-[(1R)-1-(3-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide

1-(3-fluorophenyl)propan-1-one

Downstream raw materials:

C₂₇H₃₄ClFN₄O₂

tert-butyl (3R,5S)-3-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-5-{[(1R)-1-(3-fluorophenyl)propyl]carbamoyl}piperidine-1-carboxylate

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