Studies on the reaction and quantum chemistry of thiazolidine-2-thione and (R)-thiazolidine-2-thione-4-carboxylic ethyl ester with α-bromopropylchloride

Ye Zhi Li, Chun Xiao Guo, Yan Qing Tian, Xiao Gang Zhao, Hua Min Huang

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Thiazolidine-2-α-bromopropyonyl thiol ester 2a and optically active (R)-thiazolidine-4-ethoxy carbonyl-2-α-bromopropyonyl thiol ester 2b were perpared by the reaction of α-bromopropyonyl chloride with thiazolidine-2-thione and (R)-thiazolidine-2-thione-4-carboxylic ethyl ester. The electronic structures of products and reactants were studied by molecular orbital PM3 method. The reaction enthalpies of products and the transition state of reactant 1a were obtained.

Original languageEnglish (US)
JournalKao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities
Volume19
Issue number6
StatePublished - 1998
Externally publishedYes

Fingerprint

Quantum chemistry
Thiazolidines
Esters
Sulfhydryl Compounds
Molecular orbitals
Electronic structure
Chlorides
Enthalpy
2-mercaptothiazoline

Keywords

  • (r)-thiazolidine-2-thione-4-carboxylic ethyl ester
  • (r)-thiazolidine-4-ethoxycarbonyl-2-α-bromopropyonyl thiol ester
  • Electronic structure
  • Reaction enthalpies
  • Thiazolidine-2-α-bromopropyonyl thiol ester

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Studies on the reaction and quantum chemistry of thiazolidine-2-thione and (R)-thiazolidine-2-thione-4-carboxylic ethyl ester with α-bromopropylchloride. / Li, Ye Zhi; Guo, Chun Xiao; Tian, Yan Qing; Zhao, Xiao Gang; Huang, Hua Min.

In: Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities, Vol. 19, No. 6, 1998.

Research output: Contribution to journalArticle

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abstract = "Thiazolidine-2-α-bromopropyonyl thiol ester 2a and optically active (R)-thiazolidine-4-ethoxy carbonyl-2-α-bromopropyonyl thiol ester 2b were perpared by the reaction of α-bromopropyonyl chloride with thiazolidine-2-thione and (R)-thiazolidine-2-thione-4-carboxylic ethyl ester. The electronic structures of products and reactants were studied by molecular orbital PM3 method. The reaction enthalpies of products and the transition state of reactant 1a were obtained.",
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T1 - Studies on the reaction and quantum chemistry of thiazolidine-2-thione and (R)-thiazolidine-2-thione-4-carboxylic ethyl ester with α-bromopropylchloride

AU - Li, Ye Zhi

AU - Guo, Chun Xiao

AU - Tian, Yan Qing

AU - Zhao, Xiao Gang

AU - Huang, Hua Min

PY - 1998

Y1 - 1998

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AB - Thiazolidine-2-α-bromopropyonyl thiol ester 2a and optically active (R)-thiazolidine-4-ethoxy carbonyl-2-α-bromopropyonyl thiol ester 2b were perpared by the reaction of α-bromopropyonyl chloride with thiazolidine-2-thione and (R)-thiazolidine-2-thione-4-carboxylic ethyl ester. The electronic structures of products and reactants were studied by molecular orbital PM3 method. The reaction enthalpies of products and the transition state of reactant 1a were obtained.

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JO - Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities

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