7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane

Base Information

Chemical Name:7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane
CAS No.:89398-06-1
Molecular Formula:C14H19 N S
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID401008796
Nikkaji Number:J445.475H
ChEMBL ID:CHEMBL611806
Mol file:89398-06-1.mol

Synonyms:7-benzyl 3-thia-7-azabicyclo(3.3.1)nonane;7-benzyl 3-thia-7-azabicyclo(3.3.1)nonane hydroperchlorate;7-BTABN;BRB I 28;BRB-I-28

Suppliers and Price of 7-Benzyl-3-thia-7-azabicyclo[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
Packaging
price

American Custom Chemicals Corporation
7-BENZYL 3-THIA-7-AZABICYCLO(3.3.1)NONANE 95.00%
5MG
$ 496.69

Total 3 raw suppliers

Chemical Property of 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane

Chemical Property:

Vapor Pressure:7.18E-05mmHg at 25°C
Boiling Point:343.1°C at 760 mmHg
Flash Point:161.3°C
PSA：28.54000
Density:1.113g/cm3
LogP:2.80940
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:233.12382078
Heavy Atom Count:16
Complexity:213

Purity/Quality:: 7-BENZYL 3-THIA-7-AZABICYCLO(3.3.1)NONANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CN(CC1CSC2)CC3=CC=CC=C3

Technology Process of 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane

There total 3 articles about 7-Benzyl-3-thia-7-azabicyclo[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:

: 89398-04-9
7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one

: 89398-06-1
7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane

Guidance literature:: With potassium hydroxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 145 - 150 ℃; for 4h;
DOI:10.1021/jm00372a010

Reference yield:

: 1072-72-6
Tetrahydrothiopyran-4-one

: 89398-06-1
7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane

Guidance literature:: Multi-step reaction with 2 steps

1: 38 percent / CH₃COOH / methanol / 5 h / Heating

2: N₂H₄*H₂O, triethylene glycol, KOH / 4 h / 145 - 150 °C

With potassium hydroxide; hydrazine hydrate; acetic acid; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; In methanol;
DOI:10.1021/jm00372a010

Reference yield:

: 100-46-9
benzylamine

: 89398-06-1
7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane

Guidance literature:: Multi-step reaction with 2 steps

1: 38 percent / CH₃COOH / methanol / 5 h / Heating

2: N₂H₄*H₂O, triethylene glycol, KOH / 4 h / 145 - 150 °C

With potassium hydroxide; hydrazine hydrate; acetic acid; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; In methanol;
DOI:10.1021/jm00372a010