1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium bromide

Base Information

Chemical Name:1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium bromide
CAS No.:5520-63-8
Molecular Formula:Br*C₂₀H₂₃N₄O
Molecular Weight:415.333
Hs Code.:
DSSTox Substance ID:DTXSID40501389
NSC Number:526159

Synonyms:5520-63-8;DTXSID40501389;NSC526159;NSC-526159;1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium bromide

Suppliers and Price of 1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium bromide

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

Total 2 raw suppliers

Chemical Property of 1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium bromide

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:414.10552
Heavy Atom Count:26
Complexity:467

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Br-]

Technology Process of 1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium bromide

There total 2 articles about 1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium bromide 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: 91.0%

: 100-97-0
hexamethylenetetramine

: 135-73-9
2-Bromo-4'-phenylacetophenone

: 5520-63-8
(4-phenyl-phenacyl)-hexamethylenetetraminium; bromide

Guidance literature:: In chloroform; for 72h; Ambient temperature;
DOI:10.1135/cccc19932720

Reference yield:

: 5520-63-8
(4-phenyl-phenacyl)-hexamethylenetetraminium; bromide

Guidance literature:: /BRN= 5843130/;
DOI:10.1021/ja01161a108

Reference yield:

: 5520-63-8
(4-phenyl-phenacyl)-hexamethylenetetraminium; bromide

: 2-[4'-(5-Biphenyl-4-yl-oxazol-2-yl)-biphenyl-4-yl]-5-phenyl-[1,3,4]oxadiazole

Guidance literature:: Multi-step reaction with 3 steps

1: aq. HCl / ethanol / 72 h / Ambient temperature

2: 1.) carbonyldiimidazole / 1) THF, 40 deg C, 1 h; 2) THF, reflux, 16.5 h; room temperature, 3 d

3: 70 percent / POCl₃ / 9 h / Heating

With hydrogenchloride; 1,1'-carbonyldiimidazole; trichlorophosphate; In ethanol;
DOI:10.1135/cccc19932720