2-(1-Benzothien-2-yl)pyrrolidine

Base Information

Chemical Name:2-(1-Benzothien-2-yl)pyrrolidine
CAS No.:524674-18-8
Molecular Formula:C₁₂H₁₃NS
Molecular Weight:203.308
Hs Code.:
DSSTox Substance ID:DTXSID701298009
Mol file:524674-18-8.mol

Synonyms:2-(1-benzothien-2-yl)pyrrolidine;524674-18-8;2-(1-benzothiophen-2-yl)pyrrolidine;2-(Benzo[B]Thiophen-2-yl)pyrrolidine;DTXSID701298009;Pyrrolidine, 2-benzo[b]thien-2-yl-;AKOS005143807;EN300-1858915;A913540

Suppliers and Price of 2-(1-Benzothien-2-yl)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

TRC
2-(1-Benzothien-2-yl)pyrrolidine
500mg
$ 295.00

Crysdot
2-(Benzo[B]Thiophen-2-yl)pyrrolidine 95+%
1g
$ 452.00

Chemenu
2-(Benzo[B]Thiophen-2-yl)pyrrolidine 95%
1g
$ 426.00

American Custom Chemicals Corporation
2-(1-BENZOTHIEN-2-YL)PYRROLIDINE 95.00%
5MG
$ 500.09

Total 4 raw suppliers

Chemical Property of 2-(1-Benzothien-2-yl)pyrrolidine

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:203.07687059
Heavy Atom Count:14
Complexity:207

Purity/Quality:

97% ^*data from raw suppliers

2-(1-Benzothien-2-yl)pyrrolidine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(NC1)C2=CC3=CC=CC=C3S2

Technology Process of 2-(1-Benzothien-2-yl)pyrrolidine

There total 8 articles about 2-(1-Benzothien-2-yl)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:

: 1239144-82-1
3,4-dihydro-5-(benzo[b]thien-2-yl)-2H-pyrrole

: 524674-18-8
(S)-(–)-2-(benzo[b]thiophen-2-yl)pyrrolidine

: 524674-18-8
(R)-(+)-2-(benzo[b]thiophen-2-yl)pyrrolidine

Guidance literature:: With C₂₆H₂₄N₂P⁽¹⁺⁾*CF₃O₃S^(1-); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at -35 ℃; for 16h; Overall yield = 73 percent; Overall yield = 74 mg; enantioselective reaction; Inert atmosphere; Glovebox;
DOI:10.1021/jacs.9b07293

Reference yield:

: 1239144-82-1
3,4-dihydro-5-(benzo[b]thien-2-yl)-2H-pyrrole

: 524674-18-8
(S)-(–)-2-(benzo[b]thiophen-2-yl)pyrrolidine

: 524674-18-8
(R)-(+)-2-(benzo[b]thiophen-2-yl)pyrrolidine

Guidance literature:: With C₂₆H₂₄N₂P⁽¹⁺⁾*CF₃O₃S^(1-); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at -35 ℃; for 16h; Overall yield = 73 percent; Overall yield = 74 mg; enantioselective reaction; Inert atmosphere; Glovebox;
DOI:10.1021/jacs.9b07293

Reference yield:

: 7342-82-7
3-Bromothianaphthene

: 524674-18-8
(S)-(–)-2-(benzo[b]thiophen-2-yl)pyrrolidine

: 524674-18-8
(R)-(+)-2-(benzo[b]thiophen-2-yl)pyrrolidine

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 °C

1.2: 16 h / -78 - 20 °C

1.3: 166 / 16 h

2.1: 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; C₂₆H₂₄N₂P⁽¹⁺⁾*CF₃O₃S^(1-) / tetrahydrofuran / 16 h / -35 °C / Inert atmosphere; Glovebox

With n-butyllithium; C₂₆H₂₄N₂P⁽¹⁺⁾*CF₃O₃S^(1-); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; hexane;
DOI:10.1021/jacs.9b07293