(2-Cyclopentyl-2-phenylethyl)amine

Base Information

• Chemical Name: (2-Cyclopentyl-2-phenylethyl)amine
• CAS No.: 175343-28-9
• Molecular Formula: C13H19N
• Molecular Weight: 189.301
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID30589439
• Mol file: 175343-28-9.mol

Synonyms:175343-28-9;(2-CYCLOPENTYL-2-PHENYLETHYL)AMINE;2-cyclopentyl-2-phenylethanamine;2-Cyclopentyl-2-phenylethan-1-amine;2-cyclopentyl-2-phenylethylamine;SCHEMBL3907335;DTXSID30589439;NHWNEYSOKMSPAK-UHFFFAOYSA-N;Benzeneethanamine, beta-cyclopentyl-;MFCD09787931;AKOS006283503;CS-0269756;G50352;(2-Cyclopentyl-2-phenylethyl)amine, AldrichCPR;EN300-2684921

Chemical Property of (2-Cyclopentyl-2-phenylethyl)amine

Chemical Property:

• Vapor Pressure: 0.00201mmHg at 25°C
• Boiling Point: 290.9°C at 760 mmHg
• Flash Point: 121.7°C
• PSA: 26.02000
• Density: 1.007g/cm³
• LogP: 3.61940
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 155

Purity/Quality:

95% ^*data from raw suppliers

(2-cyclopentyl-2-phenylethyl)aminehydrobromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Cyclopentyl-2-phenylethyl)amine

There total 5 articles about (2-Cyclopentyl-2-phenylethyl)amine 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: 35.0%

cyclopentyl-phenyl-acetic acid amide (3900-94-5) → 2-cyclopentyl-2-phenylethan-1-amine (175343-28-9)

Guidance literature:

cyclopentyl-phenyl-acetic acid amide; With borane-THF; In tetrahydrofuran; for 8h; Heating / reflux;

With hydrogenchloride; In tetrahydrofuran; water; for 2h; Heating / reflux;

Alkaline aqueous solution;

Reference yield:

α-phenylcyclopentaneacetyl chloride (7037-44-7) → 2-cyclopentyl-2-phenylethan-1-amine (175343-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia / tetrahydrofuran; water / 0 - 25 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 12 h / 0 - 25 °C / Inert atmosphere; Schlenk technique

With lithium aluminium tetrahydride; ammonia; In tetrahydrofuran; water;

DOI:10.1021/acs.orglett.9b00553

Reference yield:

2-cyclopentyl-2-phenylacetic acid (3900-93-4) → 2-cyclopentyl-2-phenylethan-1-amine (175343-28-9)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 25 °C

2: ammonia / tetrahydrofuran; water / 0 - 25 °C

3: lithium aluminium tetrahydride / tetrahydrofuran / 12 h / 0 - 25 °C / Inert atmosphere; Schlenk technique

With lithium aluminium tetrahydride; oxalyl dichloride; ammonia; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; water;

DOI:10.1021/acs.orglett.9b00553

upstream raw materials:

cyclopentyl-phenyl-acetic acid amide

2-cyclopentyl-2-phenylacetic acid

α-phenylcyclopentaneacetyl chloride

1-cyclopentyl-1-phenylethene

Downstream raw materials:

N-(2-phenyl-2-cyclopentylethyl)-2-chloro-3-trifluoromethylbenzylamine

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