2-[(4-Fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

Base Information

Chemical Name:2-[(4-Fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CAS No.:769099-80-1
Molecular Formula:C₁₂H₁₅FN₂
Molecular Weight:206.263
Hs Code.:
European Community (EC) Number:674-139-6
DSSTox Substance ID:DTXSID40375406
Mol file:769099-80-1.mol

Synonyms:769099-80-1;2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane;2-(4-FLUOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE;2-(4-Fluorobenzyl)-2,5-diazabicyclo[2.2.1]heptane;SCHEMBL12342529;DTXSID40375406;STR10266;FT-0644871;A838890

Suppliers and Price of 2-[(4-Fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-(4-FLUOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE 95.00%
1G
$ 1315.84

AHH
2-(4-Fluorobenzyl)-2,5-diaza-bicyclo[2.2.1]heptane 96%
5g
$ 808.00

Total 5 raw suppliers

Chemical Property of 2-[(4-Fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

Chemical Property:

Vapor Pressure:0.00144mmHg at 25°C
Refractive Index:1.567
Boiling Point:296.4°C at 760 mmHg
PKA:9.95±0.20(Predicted)
Flash Point:133.1°C
PSA：15.27000
Density:1.179g/cm³
LogP:1.63850
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:206.12192665
Heavy Atom Count:15
Complexity:226

Purity/Quality:

97% ^*data from raw suppliers

2-(4-FLUOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CNC1CN2CC3=CC=C(C=C3)F

Technology Process of 2-[(4-Fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

There total 4 articles about 2-[(4-Fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane 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%

: 132339-20-9
<1R,4R>-(1R-cis) 2,5-diazabicyclo<2.2.2>octane

: 459-57-4
4-fluorobenzaldehyde

: 769099-80-1
(1S,4S)-2-(4-fluorobenzyl)-2,5-diazabicyclo[2.2.1]heptane

Guidance literature:: <1R,4R>-(1R-cis) 2,5-diazabicyclo<2.2.2>octane; 4-fluorobenzaldehyde; With acetic acid; In dichloromethane; at 20 ℃; for 0.5h;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 6h;
DOI:10.1016/j.bmc.2014.12.052

Reference yield:

: C₁₇H₂₃FN₂O₂

: 769099-80-1
C₁₂H₁₅FN₂

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;
DOI:10.1016/j.ejmech.2019.06.053

Reference yield:

: 198989-07-0,174823-32-6
tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

: 769099-80-1
C₁₂H₁₅FN₂

Guidance literature:: Multi-step reaction with 2 steps

1: sodium cyanoborohydride; acetic acid / 20 - 50 °C / pH 6-7

2: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

With sodium cyanoborohydride; acetic acid; trifluoroacetic acid; In dichloromethane;
DOI:10.1016/j.ejmech.2019.06.053