A theoretical study of 1-amino-3-butene and 3-butene-1-thiol
✍ Scribed by Berta Fernández; Saulo A. Vázquez; Miguel A. Ríos
- Publisher
- Springer
- Year
- 1992
- Tongue
- English
- Weight
- 335 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1040-0400
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## Abstract The reaction of O(^3^P) with 1‐butene (CH~3~CH~2~CHCH~2~) are examined by applying the UMP2 and G3 methods. The minimum energy crossing points (MECPs) between the singlet and triplet potential energy surfaces are located using the Newton‐Lagrange method, and it is shown that the MECPs
Whereas sulfenyl reagents commonly add to carbon double bonds, addition to sulfur of 3-methylthio-1-butene precedes attack at carbon to give allylic thiosulfonium ions that form reversibly and which rearrange rapidly to trans-2-butenyl analogs. Likewise, rearrangement of cis-to trans-1-methylthio-2
The elimination kinetics of the title compounds were carried out in a static system over the temperature range of 290-330°C and pressure range of 29.5-124 torr. The reactions, carried out in seasoned vessels with ally1 bromide, obey first-order rate law, are homogeneous and unimolecular. The tempera
## Abstract The calculated result obtained with MM2(87) for the rotation of the isopropyl group in 3‐methyl‐1‐butene is not in agreement with experimental data. In order to reparametrize the C~__sp__~2‐C~__sp__~3‐C~__sp__~‐C~__sp__~3 torsional angle, 3‐methyl‐1‐butene and 1‐butene have been studied