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1,3-Dimethylpyrazole Sale

(Synonyms: 1,3-二甲基吡唑) 目录号 : GC61827

1,3-Dimethylpyrazole 是一种从毛竹根中分离出来的生物活性化合物。

1,3-Dimethylpyrazole Chemical Structure

Cas No.:694-48-4

规格 价格 库存 购买数量
500 mg
¥450.00
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Sample solution is provided at 25 µL, 10mM.

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产品描述

1,3-Dimethylpyrazole is a bioactive compound isolated from Moso Bamboo Root[1].

References:
[1]. Li Qing, et al. Determination of Bioactive Components of 600 degrees C Pyrolyzate from Acetone/ethanol Extractives of Moso Bamboo Root by Pyrolysis-GC/MS. MATERIALS ENGINEERING FOR ADVANCED TECHNOLOGIES, PTS 1 AND 2.

Chemical Properties

Cas No. 694-48-4 SDF
别名 1,3-二甲基吡唑
Canonical SMILES CC(C=C1)=NN1C
分子式 C5H8N2 分子量 96.13
溶解度 DMSO : ≥ 100 mg/mL (1040.26 mM) 储存条件 Store at -20°C
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溶解性数据

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1 mg 5 mg 10 mg
1 mM 10.4026 mL 52.0129 mL 104.0258 mL
5 mM 2.0805 mL 10.4026 mL 20.8052 mL
10 mM 1.0403 mL 5.2013 mL 10.4026 mL
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Research Update

Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines

J Org Chem 2014 Oct 17;79(20):9717-27.PMID:25237713DOI:10.1021/jo501881y.

Reacting (Z)-N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-1H-pyrazol-5-amines 5 with Et2NH and then with concd H2SO4 gives 5H-pyrazolo[3,4-e][1,2,4]dithiazine-3-carbonitriles 7 in good yields (74-85%) and 6H-pyrazolo[3,4-f][1,2,3,5]trithiazepine-4-carbonitriles 9 as minor products (0-6%). Furthermore, the 1,3-Dimethylpyrazole analogue 5a was transformed into the dithiazine 7a in two discrete steps, allowing the isolation of a disulfide intermediate (Z)-2-[(diethylamino)disulfan-yl]-2-[(1H-pyrazol-5-yl)imino]acetonitrile (8a). The one-pot, two-step reaction also worked with electron-rich hydroxy- and methoxy-substituted anilines. Thermolysis of the pyrazolo[3,4-e][1,2,4]dithiazines 7 gave the ring-contracted 1H-pyrazolo[3,4-d]thiazole-5-carbonitriles 6 (94-100%). With active sulfur, 1,3-dimethyl-5H-pyrazolo[3,4-e][1,2,4]dithiazine-3-carbonitrile (7a) gave 1,3-dimethyl-6H-pyrazolo[3,4-f][1,2,3,5]trithiazepine-4-carbonitrile (9a), but on prolonged reaction times, it gave 5,7-dimethyl-5H-[1,2,3]dithiazolo[4,5-b]pyrazolo[3,4-e][1,4]thiazine (13). Finally, in the absence of acid, heating a solution of (Z)-2-[(diethylamino)disulfanyl]-2-[(1,3-dimethyl-1H-pyrazol-5-yl)imino]acetonitrile (8a) gave 4,6,10,12-tetramethyl-6H-pyrazolo[3,4-f]pyrazolo[3',4':4,5]pyrimido[6,1-d][1,2,3,5]trithiazepine-8,12b(10H)-dicarbonitrile (19) (67%).

Highly Reactive Scandium Phosphinoalkylidene Complex: C-H and H-H Bonds Activation

J Am Chem Soc 2017 Jan 25;139(3):1081-1084.PMID:28068074DOI:10.1021/jacs.6b13081.

The first scandium phosphinoalkylidene complex was synthesized and structurally characterized. The complex has the shortest Sc-C bond lengths reported to date (2.089(3) Å). DFT calculations reveal the presence of a three center π interaction in the complex. This scandium phosphinoalkylidene complex undergoes intermolecular C-H bond activation of pyridine, 4-dimethylamino pyridine and 1,3-Dimethylpyrazole at room temperature. Furthermore, the complex rapidly activates H2 under mild conditions. DFT calculations also demonstrate that the C-H activation of 1,3-Dimethylpyrazole is selective for thermodynamic reasons and the relatively slow reaction is due to the need of fully breaking the chelating effect of the phosphino group to undergo the reaction whereas this is not the case for H2.