5-Benzoyl-6-(methylsulfanyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

Base Information

Chemical Name:5-Benzoyl-6-(methylsulfanyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
CAS No.:89542-05-2
Molecular Formula:C16H14N2OS
Molecular Weight:282.366
Hs Code.:
DSSTox Substance ID:DTXSID10546767

Synonyms:89542-05-2;SCHEMBL10809175;DTXSID10546767;5-Benzoyl-6-(methylsulfanyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

Suppliers and Price of 5-Benzoyl-6-(methylsulfanyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-Benzoyl-6-(methylsulfanyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:282.08268425
Heavy Atom Count:20
Complexity:423

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=C(N2CCC(C2=C1)C#N)C(=O)C3=CC=CC=C3

Technology Process of 5-Benzoyl-6-(methylsulfanyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

There total 6 articles about 5-Benzoyl-6-(methylsulfanyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile 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: 84.0%

: 98-88-4
benzoyl chloride

: 89541-93-5
6-(methylthio)-1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole-1-carbonitrile

: 89542-05-2
5-Benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

Guidance literature:: In xylene; for 20h; Heating;
DOI:10.1021/jm00126a010

Reference yield:

: 76786-72-6
1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carbonitrile

: 89542-05-2
5-Benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

Guidance literature:: Multi-step reaction with 6 steps

1: 1) N-chlorosuccinimide (NCS) / 1) dichloromethane, -10 deg C, 10 min, 2) dichloromethane, -55 deg C to r.t.

2: toluene / 0.33 h / Heating

3: 97 percent / sodium periodate / methanol; H₂O / 3 h / Ambient temperature

4: 97 percent / trifluoroacetic acid / CH₂Cl₂ / 1.83 h / Ambient temperature

5: iodine, triphenylphosphine, sodium iodide / acetonitrile / 0.08 h

6: 84 percent / xylene / 20 h / Heating

With sodium periodate; N-chloro-succinimide; iodine; triphenylphosphine; trifluoroacetic acid; sodium iodide; In methanol; dichloromethane; water; toluene; acetonitrile; xylene;
DOI:10.1021/jm00126a010

Reference yield:

: 89541-87-7
5-(methylthio)-1,2-dihydro-3H-pyrrolo<1,2-a>pyrrole-1-carbonitrile

: 89542-05-2
5-Benzoyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / sodium periodate / methanol; H₂O / 3 h / Ambient temperature

2: 97 percent / trifluoroacetic acid / CH₂Cl₂ / 1.83 h / Ambient temperature

3: iodine, triphenylphosphine, sodium iodide / acetonitrile / 0.08 h

4: 84 percent / xylene / 20 h / Heating

With sodium periodate; iodine; triphenylphosphine; trifluoroacetic acid; sodium iodide; In methanol; dichloromethane; water; acetonitrile; xylene;
DOI:10.1021/jm00126a010