1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine

Base Information

Chemical Name:1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine
CAS No.:84646-78-6
Molecular Formula:C₂₀H₂₁NO₃
Molecular Weight:323.392
Hs Code.:
DSSTox Substance ID:DTXSID501004935
Mol file:84646-78-6.mol

Synonyms:1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine;2-(Pyrrolidinomethyl)dibenz(2,3:6,7)-3a,12b-dihydroxepin(4,5-d)-1,3-dioxolane;84646-78-6;Pyrrolidine, 1-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-;DTXSID501004935;LS-137576;1-[(3a,12b-Dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]pyrrolidine

Suppliers and Price of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine

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
PYRROLIDINE, 1-((3A,12B-DIHYDRODIBENZO(B,F)-1,3-DIOXOLO(4,5-D)OXEPIN-2-YL)METHYL)- 95.00%
5MG
$ 504.86

Total 0 raw suppliers

Chemical Property of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine

Chemical Property:

Vapor Pressure:2.17E-07mmHg at 25°C
Boiling Point:423.8°C at 760 mmHg
Flash Point:123°C
PSA：30.93000
Density:1.222g/cm³
LogP:3.98130
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:323.15214353
Heavy Atom Count:24
Complexity:409

Purity/Quality:: PYRROLIDINE, 1-((3A,12B-DIHYDRODIBENZO(B,F)-1,3-DIOXOLO(4,5-D)OXEPIN-2-YL)METHYL)- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C1)CC2OC3C(O2)C4=CC=CC=C4OC5=CC=CC=C35

Technology Process of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine

There total 2 articles about 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine 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: 70.0%

: 123-75-1
pyrrolidine

: 84646-75-3
2-Bromomethyldibenz<2,3:6,7>-3a,12b-dihydrooxepin<4,5-d>-1,3-dioxolane

: 84646-78-6
2-(Pyrrolidinomethyl)dibenz<2,3:6,7>-3a,12b-dihydrooxepin<4,5-d>-1,3-dioxolane

Guidance literature:: In toluene; for 20h; Heating;

Reference yield:

: 13691-53-7
10,11-dibromo-10,11-dihydrodibenzoxepine

: 84646-78-6
2-(Pyrrolidinomethyl)dibenz<2,3:6,7>-3a,12b-dihydrooxepin<4,5-d>-1,3-dioxolane

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) AcOAg; 2.) KOH / 1.) H₂O, AcOH, 80 deg C, 5 h; 2.) MeOH, refl., 10 min

2: 8.3 g / 0.33 h / 155 °C

3: 70 percent / toluene / 20 h / Heating

With potassium hydroxide; silver(I) acetate; In toluene;