4-(7-Methoxy-2,2-dimethyl-2,3-dihydrobenzo-furan-5-yl)-N-(pyridin-2-yl)thiazol-2-amine: Chiral Crystal from Achiral Molecule

The title compound 4-（7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl）-N- （pyridin-2-yl） thiazol-2-amine was synthesized by reacting 2-bromo-1-（7-methoxy-2,2-dime- thyl-2,3-dihydrobenzofuran-5-yl）ethanone with 1-（pyridine-2-yl）thiourea, and its crystal was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, chiral space group C2 with a = 18.1328（14）, b = 5.5969（5）, c = 19.2195（15） A, β= 115.5420（10）°, V= 1759.9（2）A3, Z = 4, F（000） = 744, C19H19N3O2S, Mr= 353.43, Dc= 1.334 g/cm3, S = 1.15, μ = 0.201 mm-1, the final R = 0.035 and wR = 0.111 for 2307 observed reflections （I 〉 2σ（I））. The Flack parameter is -0.03（10）. The preliminary bioassay result indicated that the title compound exhibits strong insecticidal activity （93.75% mortality） against Mythimna separate at the concentration of 1.000 g/L.

Synthesis, Crystal Structure and Antitumor Activity of (E)-1-(7-Methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5- yl)-3-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propenol

The title compound, （E）-1-（7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl）- 3-（2-methoxyphenyl）-2-（1H-1,2,4-triazol-1-yl）propenol （3a）, was synthesized by the Aldol con- densation reaction of 1-（7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl）-2-（1,2,4-triazol- 1-yl）ethanone with 2-methoxybenzaldehyde and then reduced with NaBH4, and its crystal structure was determined by single-crystal X-ray diffraction： monoclinic system, space group P21 with a = 6.2002（3）, b = 12.8452（7）, c = 13.2257（7） ？, Z = 2, V = 1031.23（9） ？3, Mr = 407.46, Dc = 1.312 Mg/m3, S = 1.054, μ = 0.091 mm-1, F（000） = 432, the final R = 0.0353 and wR = 0.0769 for 3161 observed reflections （I 〉 2σ（I））. X-ray analysis displays that the title compound adopts an E configuration for the C（7）=C（8） double bond and S configuration for the chirality center with the specific rotation of –63.75°. Furthermore, the stability of the crystal was maintained through the intermolecular hydrogen bond O（1）–H？？？N（3）. The antitumor assay exhibits that the title compound 3a （E configuration） has a good antitumor activity against the Hela cell line with the IC50 value of 36.9 μM, which is better than that of 3b （Z configuration）.

Argentum 5-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one-6-sulfonate:Synthesis,Crystal Structure and Antitumor Activity

In order to improve the water solubility and bioavailability of 5-hydroxy-7-methoxyflavone,argentum 5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one-6-sulfonate[Ag4(H2O)6](C(16)H(11)O4SO3)4·H2O(1,C(16)H(11)O4SO3=5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one-6-sulfonate)was synthesized by sulfonation reaction.The structure of 1 was characterized by FT-IR,elemental analysis and X-ray single-crystal diffraction.Complex 1 belongs to the triclinic system,space group P1,a=8.077(4),b=12.365(4),c=17.735(7)A,V=1685.0(12)A3,Z=1,μ=1.372 mm^–1,Dc=1.936 g/cm^3,F(000)=984,the final R=0.0819 and wR=0.2332 with I>2σ(I).3D structure of 1 exhibits alternating organic and inorganic regions.O–H×××O hydrogen bonds and Ag–O coordination interactions exist among crystal water,coordinated water and sulfo group,which constructed an organic zone.Flavone skeletons form organic region of 1.Sulfo group is the bridge linking these two regions.The in vitro antitumor activity of 1 against human lymphoma cells U937 and human breast cancer cells MCF-7 were evaluated with CCK-8 assay.The result shows that 1 showed inhibitory activity against tumour cell U937 and MCF-7,and indicated that flavone sulfonate derivatives may be potential leads for further biological screenings and may generate drug-like molecules.

青蕨植物化学成分的研究(英文)

从青蕨根部的乙酸乙酯提取物中分离得到4个化合物.通过化学及波谱分析鉴定其结构为:saucerneolD1,dehydrogoniothalamin2,1-acetoxyl-2-piperonyl-6-[6-methoxyl-piperonyl]-3,7-dioxabicyclo-[3,3,0]-octane3and5,5′-dihydroxy-3-methoxy-6,8,3″,3″-tetramethylpyran-3′,4′flavone-7-O-[β-D-apiofuranosyl-1→6]-β-D-glucopyranoside4.其中化合物4为新化合物,化合物1为首次从该属植物中分离得到.

冰糖草化学成分的分离与鉴定

目的研究冰糖草(Scoparia dulcis L.)全草乙醇提取物的正丁醇萃取部位的化学成分。方法运用硅胶、Sephadex LH-20和半制备HPLC等各种方法进行分离纯化,根据理化性质和波谱数据等鉴定化合物结构。结果分离得到16个化合物,分别鉴定为(2S)-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-O-β-glucopyranoside(1)、(2R)-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-O-β-glucopyranoside(2)、对羟基苯甲酸甲酯(3)、对羟基苯甲醛(4)、2-唑啉酮(5)、对羟基苯乙酮(6)、薏苡素(7)、苯甲酸(8)、对羟基肉桂酸甲酯(9)、黑麦草内酯(10)、异黑麦草内酯(11)、橙酰胺乙酸酯(12)、apigenin 7-O-rutinoside(13)、hispidulin-7-O-rutinoside(14)、isoschaftoside(15)和schaftoside(16)。结论化合物1为新化合物,化合物13~16为首次从冰糖草中分离得到。

Two New Flavonoid Glycosides from Chrysanthemum morifolium

Two new flavonoid glycosides were isolated from the flowering heads of Chrysanthemum morifolium. Their structures were determined to be luteolin 4＇-methoxy-7- O-（6＂-O-acetyl）-β-D-glucopyranoside （1） and acacetin 7-O-（3＂-O-acetyl）-β-D-glucopyranoside （2） by means of 1H and 13C NMR spectroscopic analysis, including 2D NMR technique.

Two new isoflavonoids from the rhizomes of Belamcanda chinensis

Two new isoflavonoids, 6-methoxy-5,7,8,4′-tetrahydryoxyisoflavone (1) and 4′-methoxy -5,6-dihydroxyisoflavone-7-O-β-d-glucopyranoside (2), were isolated from the rhizomes of Belamcanda chinensis (L.) DC. Their structures were elucidated by extensive spectroscopic evidence including 1D NMR, 2D NMR, MS and IR spectra.

酸浆全草甾体类化学成分研究

目的研究酸浆属植物酸浆Physalis alkekengi var. franchetii的化学成分。方法对酸浆全草醋酸乙酯部位采用硅胶、Sephadex LH-20、ODS等多种柱色谱,并结合制备液相等方法进行分离和纯化,根据理化性质及波谱数据对其化学成分进行结构鉴定。结果从酸浆醋酸乙酯部位中共分离鉴定10个化合物,分别为4β-methoxy-7β-hydroxyneophysalin B(1)、酸浆苦素P(2)、7-氧代-β-谷甾醇(3)、7β-羟基谷甾醇(4)、3β-羟基豆甾-5,22-二烯-7-酮(5)、豆甾-5,22-二烯-3β,7β-二醇(6)、(24R)-5,28-stigmastadiene-3β,24-diol-7-one(7)、(24S)-5,28-stigmastadiene-3β,24-diol-7-one(8)、3β-羟基-胆甾-5-烯-7-酮(9)、sargassuol A(10)。结论化合物1为新化合物4β-methoxy-7β-hydroxyneophysalin B,中文俗名酸浆苦素ⅩⅢ,化合物3~10均为首次从该属植物中分离得到。

湖北麦冬地下部分化学成分

目的：研究百合科山麦冬属植物湖北麦冬Liriope spicata var.prolifera地下部分的化学成分,进一步丰富该植物的化学信息并为其开发和利用提供理论指导。方法：采用60%乙醇对湖北麦冬地下部分进行提取,综合利用大孔吸附树脂,正、反向硅胶,小孔树脂（MCI）及葡聚糖凝胶等柱色谱法对提取物进行分离和纯化,并根据化合物的理化性质及谱学数据鉴定其结构。结果：从湖北麦冬地下部分共分离并鉴定了12个化合物,其中包括4个黄酮类成分（化合物1~4）,4个酚类及苯甲酸类衍生物（化合物5~8）,2个酰胺类生物碱（化合物9,10）及2个其他类成分（化合物11,12）。分别鉴定为2＇,4,4＇-三羟基查耳酮（1）,木犀草素（2）,槲皮苷（3）,3,5-dihydroxy-7-methoxy-6-methyl-3-（4-hydroxybenzyl）chroman-4-one（4）,2,6-二甲氧基-4-硝基苯酚（5）,烯丙基焦儿茶酚（6）,3,4-dihydroxyallylbenzene 4-O-[α-L-rhamnopyranosyl（1→6）]-β-D-glucopyranoside（7）,丁香酸（8）,E-阿魏酰酪胺（9）,反式对羟基桂皮酸（10）,（1S,4S,5R,6R,7S,10S）-1,4,6-trihydroxyeudesmane-6-O-β-Dglucopyranoside（11）和5-羟甲基糠醛（12）。结论：其中化合物1~3,5~8及化合物10~12均为首次从山麦冬属植物中分离得到,化合物4和9为首次从该植物中分离得到。