C-[1-(4-Fluoro-phenyl)-cyclopentyl]-methylamine

Base Information

• Chemical Name: C-[1-(4-Fluoro-phenyl)-cyclopentyl]-methylamine
• CAS No.: 75180-50-6
• Molecular Formula: C12H16FN
• Molecular Weight: 193.264
• DSSTox Substance ID: DTXSID30424331
• Wikidata: Q82236860
• Mol file: 75180-50-6.mol

Synonyms:75180-50-6;C-[1-(4-Fluoro-phenyl)-cyclopentyl]-methylamine;[1-(4-fluorophenyl)cyclopentyl]methanamine;1-[1-(4-FLUOROPHENYL)CYCLOPENTYL]METHANAMINE;1-(4-Fluorophenyl)cyclopentanemethanamine;(1-(4-Fluorophenyl)cyclopentyl)methanamine;1-(4-Fluorophenyl)-cyclopentanemethanamine;MFCD06213188;SCHEMBL5495766;DTXSID30424331;AKOS000112404;AB90933;BS-38492;SY063108;CS-0248907;EN300-41850;C78440;A915200;C-[1-(4-FLUOROPHENYL)-CYCLOPENTYL]-METHYLAMINE;Z361884276

Chemical Property of C-[1-(4-Fluoro-phenyl)-cyclopentyl]-methylamine

Chemical Property:

• PSA: 26.02000
• LogP: 3.29650
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.126677677
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

C-[1-(4-Fluoro-phenyl)-cyclopentyl]-methylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(CN)C2=CC=C(C=C2)F

Technology Process of C-[1-(4-Fluoro-phenyl)-cyclopentyl]-methylamine

There total 2 articles about C-[1-(4-Fluoro-phenyl)-cyclopentyl]-methylamine 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:

1-(4-fluorophenyl)cyclopentane-1-carbonitrile (83706-50-7) → (1-(4-fluorophenyl)cyclopentyl)methanamine (75180-50-6)

Guidance literature:

With ammonium hydroxide; hydrogen; In ethanol; at 20 ℃; for 23h;

DOI:10.1016/j.bmc.2011.07.030

Reference yield:

4-fluorophenylacetonitrile (459-22-3) → (1-(4-fluorophenyl)cyclopentyl)methanamine (75180-50-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 3 h / 20 °C / Cooling with ice

2: ammonium hydroxide; hydrogen / ethanol / 23 h / 20 °C

With ammonium hydroxide; hydrogen; sodium hydride; In ethanol; N,N-dimethyl-formamide; mineral oil;

DOI:10.1016/j.bmc.2011.07.030

Reference yield: 89.0%

(1-(4-fluorophenyl)cyclopentyl)methanamine (75180-50-6) + 2,6-diisopropylphenyl isocyanate (28178-42-9) → 1-(2,6-diisopropylphenyl)-3-((1-(4-fluorophenyl)cyclopentyl)methyl)urea

Guidance literature:

In ethyl acetate; for 0.166667h;

DOI:10.1021/acsmedchemlett.0c00127

upstream raw materials:

1-(4-fluorophenyl)cyclopentane-1-carbonitrile

4-fluorophenylacetonitrile

Downstream raw materials:

1-benzyl-N-{[1-(4-fluorophenyl)cyclopentyl]methyl}piperidine-4-carboxamide hydrochloride

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