4-Hydroxybenzyl cyanide
(Synonyms: 对羟基苯乙腈) 目录号 : GC60518
4-Hydroxybenzylcyanide是一种内源性代谢产物。
Cas No.:14191-95-8
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
4-Hydroxybenzyl cyanide is an endogenous metabolite.
| Cas No. | 14191-95-8 | SDF | |
| 别名 | 对羟基苯乙腈 | ||
| Canonical SMILES | N#CCC1=CC=C(O)C=C1 | ||
| 分子式 | C8H7NO | 分子量 | 133.15 |
| 溶解度 | DMSO : 100 mg/mL (751.03 mM; Need ultrasonic) | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 7.5103 mL | 37.5516 mL | 75.1033 mL |
| 5 mM | 1.5021 mL | 7.5103 mL | 15.0207 mL |
| 10 mM | 0.751 mL | 3.7552 mL | 7.5103 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
The production of tyramine via the selective hydrogenation of 4-Hydroxybenzyl cyanide over a carbon-supported palladium catalyst
RSC Adv 2018 Aug 20;8(51):29392-29399.PMID:35548000DOI:10.1039/c8ra05654d.
The selective production of primary amines is a problem that plagues heterogeneously catalysed nitrile hydrogenation reactions. Whilst the target amine tyramine (HOC6H4CH2CH2NH2) is biochemically available through the action of enzymes, synthetic routes to this species are not widely reported. Here, a heterogeneously catalysed method is proposed that utilises a Pd/C catalyst to effect the selective hydrogenation of 4-Hydroxybenzyl cyanide within a three-phase reactor. The aforementioned selectivity issues are overcome by adjustment of various experimental parameters (hydrogen supply, agitation rate, temperature, use of an auxiliary agent) that result in improved catalytic performance, such that the desired tyramine salt (tyramine hydrogen sulphate) can be produced in quantitative yield. Accordingly, through consideration of the interconnectivity of hydrogenation and hydrogenolysis processes, a selective synthetic strategy is achieved with the findings suitable for extension to other substrates of this nature.
[Study on intermediate products in chloroform formation from L-tyrosine treated with sodium hypochlorite]
Shokuhin Eiseigaku Zasshi 2007 Aug;48(4):97-105.PMID:17892003DOI:10.3358/shokueishi.48.97.
Possible intermediates in the formation of chloroform during by the sodium hypochlorite (NaClO) treatment of L-tyrosine were investigated using HPLC and LC/MS. One product showed the same MS characteristics as the substance formed by the NaClO treatment of 4-Hydroxybenzyl cyanide (4-HBC), and it was suggested to be m-chloro-4-hydroxybenzyl cyanide (m-C-4-HBC). Since m-C-4-HBC is not commercially available it was synthesized by treating 4-HBC with NaClO, and purified by extraction with ethyl acetate, followed by HPLC on preparative isolation columns, using a column switching method. The product was confirmed to be 3-chloro-4-hydroxybenzyl cyanide (3-C-4-HBC), by means of NMR spectral analysis. When L-tyrosine or 4-HBC was treated with NaClO, 3-C-4-HBC and CHCl3 were generated. When 3-C-4-HBC was treated with NaClO, CHCl3 was generated. Judging from these results, 3-C-4-HBC was confirmed to be an intermediate in the formation of CHCl3 from L-tyrosine. Thus, the reaction pathway of CHCl3 formation from L-tyrosine treated with NaClO is concluded to be: L-tyrosine-->4-HBC-->3-C-4-HBC-->CHCl3.
Supercritical fluid chromatography as a method of analysis for the determination of 4-hydroxybenzylglucosinolate degradation products
J Biochem Biophys Methods 2000 Jul 5;43(1-3):157-74.PMID:10869674DOI:10.1016/s0165-022x(00)00081-6.
In the present study analytical and preparative supercritical fluid chromatography (SFC) were used for investigation of myrosinase catalysed degradation of 4-hydroxybenzylglucosinolate (sinalbin). Sinalbin occurs as a major glucosinolate in seeds of Sinapis alba L., in various mustards and other food products. The degradation products were identified and quantified by analysis based on a developed SFC method using a bare silica column. Determinations comprised transformation products of sinalbin, produced both during degradation of isolated sinalbin, and during autolysis of meal from S. alba seeds. The conditions in the developed SFC method were used as basis for the preparative SFC procedure applied for isolation of the components prior to their identification by nuclear magnetic resonance (NMR) spectroscopy. Myrosinase catalysed sinalbin hydrolysis resulted in the reactive 4-hydroxybenzyl isothiocyanate as an initial product at pH values from 3.5 to 7.5 whereas 4-Hydroxybenzyl cyanide was one of the major products at low pH values. 4-Hydroxybenzyl isothiocyanate was found to disappear from the aqueous reaction mixtures in a few hours, as it reacted easily with available nucleophilic reagents. 4-Hydroxybenzyl alcohol was found as the product from reaction with water, and with ascorbic acid, 4-hydroxybenzylascorbigen was produced.