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

Base Information

Chemical Name:2-(4-Fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane
CAS No.:198988-90-8
Molecular Formula:C₁₁H₁₃FN₂
Molecular Weight:192.236
Hs Code.:
DSSTox Substance ID:DTXSID40392956
Mol file:198988-90-8.mol

Synonyms:2-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane;198988-90-8;(1S,4S)-(-)-2-(4-FLUOROPHENYL)-2,5-DIAZABICYCLO[2.2.1]HEPTANE, HYDROBROMIDE;SCHEMBL2054598;DTXSID40392956;AKOS016023701

Suppliers and Price of 2-(4-Fluorophenyl)-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

Sigma-Aldrich
(1S,4S)-(?)-2-(4-Fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane hydrobromide
500 mg
$ 339.00

Total 7 raw suppliers

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

Chemical Property:

Melting Point:225-230oC(lit.)
PSA：15.27000
LogP:2.72810
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:192.10627659
Heavy Atom Count:14
Complexity:213

Purity/Quality:

99% ^*data from raw suppliers

(1S,4S)-(?)-2-(4-Fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane hydrobromide ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CNC1CN2C3=CC=C(C=C3)F

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

There total 4 articles about 2-(4-Fluorophenyl)-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:

: (1R,4R)-tert-butyl 5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

: 198988-90-8
(1R,4R)-2-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; Cooling with ice; Inert atmosphere;

Reference yield:

: 460-00-4
1-Bromo-4-fluorobenzene

: 198988-90-8
(1R,4R)-2-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane

Guidance literature:: Multi-step reaction with 2 steps

1: palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / toluene / 12 h / 20 °C / Inert atmosphere; Alkaline conditions; Reflux

2: hydrogenchloride / methanol; 1,4-dioxane / 20 °C / Cooling with ice; Inert atmosphere

With hydrogenchloride; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; methanol; toluene;

Reference yield:

: 134003-84-2,174823-32-6
tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

: 198988-90-8
(1R,4R)-2-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptane

Guidance literature:: Multi-step reaction with 2 steps

1: palladium diacetate; (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl; sodium t-butanolate / toluene / Inert atmosphere; Reflux

2: hydrogenchloride / 1,4-dioxane; water / 20 °C / Inert atmosphere

With hydrogenchloride; palladium diacetate; (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl; sodium t-butanolate; In 1,4-dioxane; water; toluene;
DOI:10.1016/j.bmc.2021.116533