3-[(4-Fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane

Base Information

Chemical Name:3-[(4-Fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane
CAS No.:864448-34-0
Molecular Formula:C₁₄H₂₀FN₃
Molecular Weight:249.331
Hs Code.:
DSSTox Substance ID:DTXSID60696862
Nikkaji Number:J2.205.047H

Synonyms:3-[(4-fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane;864448-34-0;SCHEMBL5239290;DTXSID60696862;MUUXKBIBWGTKRX-UHFFFAOYSA-N;A841645;3-(4-Fluoro-benzyl)-7-methyl-3,7,9-triaza-bicyclo[3.3.1]nonane;3-Methyl-7-(4-fluorobenzyl)-3,7,9-triazabicyclo[3.3.1]nonane

Suppliers and Price of 3-[(4-Fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane

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
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price

Total 1 raw suppliers

Chemical Property of 3-[(4-Fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane

Chemical Property:

Boiling Point:349.5±42.0 °C(Predicted)
Density:1.126±0.06 g/cm3(Predicted)
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:249.16412581
Heavy Atom Count:18
Complexity:264

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC2CN(CC(C1)N2)CC3=CC=C(C=C3)F

Technology Process of 3-[(4-Fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane

There total 4 articles about 3-[(4-Fluorophenyl)methyl]-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane 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: 61.0%

: 3-methyl-3,7,9-triazabicyclo[3.3.1]nonane dihydrochloride

: 352-11-4
1-chloromethyl-4-fluorobenzene

: 864448-34-0
3-(4-fluorobenzyl)-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane

Guidance literature:: With sodium hydrogencarbonate; In ethanol; for 2.5h; Heating / reflux;

Reference yield:

: 864448-31-7
3,9-dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane

: 864448-34-0
3-(4-fluorobenzyl)-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane

Guidance literature:: Multi-step reaction with 3 steps

1.1: methanol; water / 0.25 h / 50 °C

1.2: 0.25 h

2.1: hydrogen / palladium on activated charcoal / acetic acid / 1 h

3.1: sodium hydrogencarbonate / ethanol / 2.5 h / Heating / reflux

With hydrogen; sodium hydrogencarbonate; palladium on activated charcoal; In methanol; ethanol; water; acetic acid;

Reference yield:

: 864448-29-3
3,9-dibenzyl-7-(phenylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane

: 864448-34-0
3-(4-fluorobenzyl)-7-methyl-3,7,9-triazabicyclo[3.3.1]nonane

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene; xylene / 1 h / Heating / reflux

2.1: methanol; water / 0.25 h / 50 °C

2.2: 0.25 h

3.1: hydrogen / palladium on activated charcoal / acetic acid / 1 h

4.1: sodium hydrogencarbonate / ethanol / 2.5 h / Heating / reflux

With hydrogen; sodium hydrogencarbonate; sodium bis(2-methoxyethoxy)aluminium dihydride; palladium on activated charcoal; In methanol; ethanol; water; acetic acid; toluene; xylene;