Organic Magnetic Resonance p. 602 - 615 (1983)
Update date:2022-07-30
Topics:
Andersson, Sven
Drakenberg, Torbjoern
1,3,5-Trineopentylbenzenes (TNB) with one or two benzylic substituents in each neopentyl group were synthesized.The substituents were F, Cl, Br, I, OCH3, OCOCH3, OSi(CH3)3 and CH3 and, in cases of disubstitution, F, Cl, Br, CH3 and Cl, CH3 and Br and -SCH2CH2S-.Barriers to internal Csp3-Csp2 (aryl) and Csp3-Csp3 rotation were estimated by 13C and 19F NMR band shape methods.Estimated barriers in the TNB series were found to be very close to those found for the corresponding mononeopentylbenzenes.For some of the compounds studied, molecular mechanics (MM) calculations were performed with the Allinger MMP1 program.Differ ences between calculated and experimental estimated barriers were found, and possible sources of these discrepancies in terms of parameters used in the MMP1 program are discussed.
View MoreYangzhou Zhongbao Pharmaceutical Co.,Ltd
Contact:+86-514-88290838
Address:Jiangsu Baoying county economic develpment zone in baoying avenue91
Wuxi Morality Chemical Co., Ltd(expird)
Contact:
Address:B/7F, 321th WuYun Rd, Wanda Plaza, Wuxi City, 214174, China
SHOUGUANG BOYU CHEMICAL CO.,LTD
Contact:+86-536-8256719
Address:ROOM 1101&1103,BUILDING D,ZHONGTU MANSION,NO.6565 EAST FUSHOU STREET,WEIFANG CITY,SHANDONG,CHINA.
Sanming Coffer Fine Chemical Industrial Co., Ltd
website:http://www.cofferxm.com/
Contact:+86-598-5853979
Address:Jin-sha Yuan Chuang-ye Park,Hi-Tech Development Zone,Sanming City P.R.China
Junkai (Tianjin) Chemical Co., Ltd.
website:http://www.junkaichem.com
Contact:86-22-85689515
Address:Room 8-501, Building K2, The Hi-Tech Green Industrial Base, No.6, 6th Road, Hi-Tech Development Road, Tianjin Hi-Tech IndustrialPark, Tianjin, China.
Doi:10.1016/0223-5234(96)88290-0
(1995)Doi:10.1002/poc.1133
(2007)Doi:10.1021/ic060513s
(2006)Doi:10.1080/14786419.2020.1761356
(2021)Doi:10.1246/bcsj.56.3471
(1983)Doi:10.1002/chem.200901946
(2009)