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

Base Information

Chemical Name:7-[(4-Fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CAS No.:864448-43-1
Molecular Formula:C₁₃H₁₇FN₂O
Molecular Weight:236.289
Hs Code.:
DSSTox Substance ID:DTXSID20696863
Nikkaji Number:J2.205.052D

Synonyms:7-[(4-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane;864448-43-1;SCHEMBL5240428;DTXSID20696863;QIHACWKSBIJGCC-UHFFFAOYSA-N;A841650;3-(4-Fluorobenzyl)-3,9-diaza-7-oxabicyclo[3.3.1]nonane;7-(4-Fluorobenzyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane;7-(4-Fluoro-benzyl)-3-oxa-7,9-diaza-bicyclo[3.3.1]nonane

Suppliers and Price of 7-[(4-Fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[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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Total 1 raw suppliers

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

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:236.13249133
Heavy Atom Count:17
Complexity:244

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2COCC(N2)CN1CC3=CC=C(C=C3)F

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

There total 6 articles about 7-[(4-Fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[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: 72.0%

: 868408-05-3
3-oxa-7,9-diazabicyclo[3.3.1]nonane-7,9-dicarboxylic acid di-tert-butyl ester

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

: 864448-43-1
7-(4-fluorobenzyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

Guidance literature:: 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7,9-dicarboxylic acid di-tert-butyl ester; With hydrogenchloride; ethanol; water; for 0.5h;

1-chloromethyl-4-fluorobenzene; With sodium hydrogencarbonate; In ethanol; for 1.5h; Heating / reflux;

Reference yield:

: 864448-25-9
(S)-ethyl 2-bromo-3-(N-((R)-2-bromo-3-ethoxy-3-oxopropyl)phenyl-sulfonamido)propanoate

: 864448-43-1
7-(4-fluorobenzyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

Guidance literature:: Multi-step reaction with 6 steps

1.1: toluene / 1.5 h / 90 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 0.33 h / Heating / reflux

3.1: thionyl chloride / DMF (N,N-dimethyl-formamide); toluene / 1.25 h / 20 - 170 °C / Heating / reflux

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

5.1: tert-butyl methyl ether / 0.17 h / 20 °C

5.2: 2 h / 760.05 Torr

6.1: hydrogenchloride; ethanol; water / 0.5 h

6.2: 1.5 h / Heating / reflux

With hydrogenchloride; lithium aluminium tetrahydride; thionyl chloride; ethanol; water; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; DMF (N,N-dimethyl-formamide); tert-butyl methyl ether; toluene; xylene;

Reference yield:

: 864448-27-1
cis-(1-benzyl-4-(phenylsulfonyl)piperazine-2,6-diyl)dimethanol

: 864448-43-1
7-(4-fluorobenzyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

Guidance literature:: Multi-step reaction with 4 steps

1.1: thionyl chloride / DMF (N,N-dimethyl-formamide); toluene / 1.25 h / 20 - 170 °C / Heating / reflux

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

3.1: tert-butyl methyl ether / 0.17 h / 20 °C

3.2: 2 h / 760.05 Torr

4.1: hydrogenchloride; ethanol; water / 0.5 h

4.2: 1.5 h / Heating / reflux

With hydrogenchloride; thionyl chloride; ethanol; water; sodium bis(2-methoxyethoxy)aluminium dihydride; In DMF (N,N-dimethyl-formamide); tert-butyl methyl ether; toluene; xylene;