CAS: 614-23-3; N-Carbamothioylbenzamide

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📜苯甲酸置于ammonium Hydroxide,氯化亚砜,N,N-二甲基甲酰胺体系中,用 丙酮 作为反应溶剂,化学反应 1.5H,反应生成 1-苄基-2-硫脲
参考文献:N-Carbamothioylbenzamide 和 1,3,5-Triazinane-2,4,6-Trithione 共晶的合成,单晶 X 射线结构测定,Hirshfeld 表面分析,晶体空隙研究和密度泛函理论计算
标题:N-Carbamothioylbenzamide 和 1,3,5-Triazinane-2,4,6-Trithione 共晶的合成,单晶 X 射线结构测定,Hirshfeld 表面分析,晶体空隙研究和密度泛函理论计算
摘要:目前的研究提出了n-Carbamothioylbenzamide 和 1,3,5-Triazinane-2,4的简单合成,单晶 X 射线结构测定,Hirshfeld 表面 (Hs) 分析,晶体空隙研究和密度泛函理论 (Dft) 计算,6-三硫酮共晶.因此,单晶x射线分析表明合成的化合物在单斜晶系中共结晶,空间群为p2 1 /c和 Z = 4.hs 分析可视化,探索并随后量化共结晶化合物晶格中存在的分子间相互作用.h2S 分析表明与更深入的分子相互作用相关的密切接触,并增强了氢原子接触在晶体堆积中的重要性.同样,空隙研究评估了机械稳定性,并表明填充共晶内不存在任何大空腔.此外,将在 B3Lyp/6-311G(D,P) 水平上使用 Dft 优化的分子结构与实验确定的分子结构进行了比较.确定了 Homo-Lumo 能隙,并计算了 B3Lyp/6-311 G 水平的频率和分子静电势面.发现 Dft
DOI:10.1007/s11224-023-02171-7

专利信息

专利号:US-8962858-B2
优先权日:2011-01-21
标题 :Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives
发明人：MITASEV BRANKO; KIM DAE-SHIK; ZHANG HUIMING; FARTHING CHRISTOPHER N
权利人:EISAI R&D MAN CO LTD
摘要:Provided are compounds and methods useful for the preparation of compounds useful as inhibitors of beta-site amyloid precursor protein (APP)-cleaving enzyme.

专利号:US-4782165-A
优先权日:1984-09-26
标 题 :Process for biotin intermediates
发明人：SKLAVOUNOS CONSTANTINE
权利人:PFIZER
摘要:In the synthesis of biotin and decarboxybiotin, a more direct method for the conversion of 1,3-diacyl-4-(bromomethyl)-5-[(5-alkoxycarbonylpentanoyl) or hexanoyl]-4-imidazolin-2-ones to 1,3-diacyl-4-[(4-alkoxybutanoyl) or pentanoyl]-1H,3H-thieno (3,4-b)imidazol-2-one via the Bunte salt of the formula ##STR1## wherein R is (C 1 -C 5 )alkanoyl or (C 2 -C 5 ) alkoxycarbonyl, X is methyl or (C 2 -C 5 )alkoxycarbonyl an Y is an alkali metal.

专利号:US-4709044-A
优先权日:1984-09-26
标 题:Biotin intermediates
发明人：SKLAVOUNOS CONSTANTINE
权利人:PFIZER
摘要:PCT No. PCT/US84/01563 Sec. 371 Date May 23, 1986 Sec. 102(e) Date May 23, 1986 PCT Filed Sep. 26, 1984 PCT Pub. No. WO86/02069 PCT Pub. Date Apr. 10, 1986.In the synthesis of biotin and decarboxybiotin, a more direct method for the conversion of 1,3-diacyl-4-(bromomethyl)-5-[(5-alkoxycarbonylpentanoyl) or hexanoyl]-4-imidazolin-2-ones to 1,3-diacyl-4-[(4-alkoxybutanoyl) or pentanoyl]-1H,3H-thieno(3,4-b)imidazol-2-one via the Bunte salt of the formula wherein R is (C1-C5)alkanoyl or (C2-C5)alkoxycarbonyl, X is methyl or (C2-C5)alkoxycarbonyl and Y is an alkali metal.

专利号:WO-0009116-A1
优先权日:1998-08-14
标 题:Grp receptor ligands
发明人：XIANG JIA-NING; KARPINSKI JOSEPH M; CHRISTENSEN SIEGFRIED B IV
权利人:SMITHKLINE BEECHAM CORP; XIANG JIA NING; KARPINSKI JOSEPH M; CHRISTENSEN SIEGFRIED B IV
摘要:Novel GRP receptor antagonists are provided. Methods of using the present compounds to antagonize GRP receptors are also provided. The present invention further involves the synthesis of the present compounds.

专利号:US-8802871-B2
优先权日:2011-01-21
标 题:Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives

专利号:US-2013197244-A1
优先权日:2011-01-21
标题 :Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives