Facile synthesis of corticosteroids prodrugs from isolated hydrocortisone acetate and their quantum chemical calculations

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• 作者：Arun Sethi^a ; ^{alkaarunsethi@rediffmail.com} ; Ranvijay Pratap Singh^a ; Rohit Prakash^b ; Amandeep^a
• 关键词：Hydrocortisone acetate ; Hydrocortisone ; Prednisolone ; Prodrugs ; NLO ; Reactivity descriptors
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1130
• 期：Complete
• 页码：860-866
• 全文大小：836 K
• 卷排序：1130

文摘

Corticosteroids prodrugs have been synthesized by adopting Steglich reaction. Compounds were characterized with the help of 1H, 13C NMR, FT-IR and ESI-MS. From first hyperpolarizability, 4 (β0 = 5.66 × 10−30 esu) shows good NLO material. From global reactivity descriptors, compound 7 (ω = 2.81) act as good electrophile. Molecular electrostatic potential surface helps to determine probable reaction path.