1-(4-Fluorophenyl)cyclopropanamine

Base Information

• Chemical Name: 1-(4-Fluorophenyl)cyclopropanamine
• CAS No.: 474709-83-6
• Molecular Formula: C9H10FN
• Molecular Weight: 151.184
• Hs Code.: 2921309990
• European Community (EC) Number: 809-267-5
• DSSTox Substance ID: DTXSID30514362
• Nikkaji Number: J1.889.856J
• Wikidata: Q82374647
• Mol file: 474709-83-6.mol

Synonyms:1-(4-Fluorophenyl)cyclopropanamine;474709-83-6;1-(4-Fluorophenyl)cyclopropylamine;1-(4-fluorophenyl)cyclopropan-1-amine;1-(4-FLUORO-PHENYL)-CYCLOPROPYLAMINE;CYCLOPROPANAMINE, 1-(4-FLUOROPHENYL)-;MFCD07374474;1-(4-Fluorophenyl)-cyclopropanamine;1-(4-fluorophenyl) cyclopropanamine;SCHEMBL56590;AMY4625;DTXSID30514362;JZDJCPUJSHPOJP-UHFFFAOYSA-N;AKOS000773666;1-(4-fluorophenyl)-1-cyclopropanamine;AB39550;CS-W020619;AS-17992;SY185544;FT-0694273;EN300-69788;A827238;Z381654558

Chemical Property of 1-(4-Fluorophenyl)cyclopropanamine

Chemical Property:

• Vapor Pressure: 0.227mmHg at 25°C
• Boiling Point: 207.3°C at 760 mmHg
• PKA: 7.73±0.20(Predicted)
• Flash Point: 88.5°C
• PSA: 26.02000
• Density: 1.184g/cm³
• LogP: 2.47380
• Storage Temp.: Room temperature.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.079727485
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

98% ^*data from raw suppliers

1-(4-Fluorophenyl)cyclopropylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC=C(C=C2)F)N
• Uses: 1-(4-Fluorophenyl)cyclopropylamine

Technology Process of 1-(4-Fluorophenyl)cyclopropanamine

There total 3 articles about 1-(4-Fluorophenyl)cyclopropanamine 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: 69.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) + ethylmagnesium bromide (925-90-6) → 1-(4-fluorophenyl)cyclopropan-1-amine (474709-83-6)

Guidance literature:

4-fluorobenzonitrile; ethylmagnesium bromide; With titanium(IV) isopropylate; In diethyl ether; at -70 - 20 ℃; for 2h;

With boron trifluoride diethyl etherate; In diethyl ether; at 20 ℃;

Reference yield: 65.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) + diethylzinc (557-20-0) → 1-(4-fluorophenyl)cyclopropan-1-amine (474709-83-6)

Guidance literature:

With methyltriisopropoxytitanium(IV); lithium isopropoxide; lithium iodide; In tetrahydrofuran; at 20 ℃; for 8h;

DOI:10.1021/ol034021k

Reference yield:

4-fluorophenylacetonitrile (459-22-3) → 1-(4-fluorophenyl)cyclopropan-1-amine (474709-83-6)

Guidance literature:

upstream raw materials:

4-fluorobenzonitrile

diethylzinc

ethylmagnesium bromide

4-fluorophenylacetonitrile

Downstream raw materials:

2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5,8-dicarboxylic acid 5-{[1-(4-fluoro-phenyl)-cyclopropyl]-amide} 8-hydroxyamide

3-hydroxy-4-hydroxymethyl-pyridine-2,5-dicarboxylic acid 5-{[1-(4-fluoro-phenyl)-cyclopropyl]-amide} 2-hydroxyamide

N-[1-(4-fluorophenyl)cyclopropyl]-2-(2,4-dichlorophenoxy)propanamide

1-(1-(4-fluorophenyl)cyclopropyl)piperidin-4-one

Refernces

• 1、 -. "ACRYLAMIDE COMPOUNDS AND THE USE THEREOF". Page/Page column 88; 89. . Retrieved 2010/11/03.
• 2、 -. "NITROGENOUS FUSED?RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF". Page 160. . Retrieved 2008/06/13.