sodium o-cresolate | 34689-46-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sodium o-cresolate
• 英文别名: sodium 2-methylphenoxide；sodium 2-methylphenolate；sodium;2-methylphenolate
• CAS: 34689-46-8
• 化学式: C₇H₇O*Na
• 分子量: 130.122
• InChiKey: ONFAAMBUOAGWSG-UHFFFAOYSA-M

物化性质

• 颜色/状态：
  Amber liquid
• 气味：
  Strong
• 溶解度：
  In water, 3.1X10+5 mg/L at 25 °C (est)
• 稳定性/保质期：
  Crystals or liquid darken with exposure to air and light. /Cresol/
• 分解：
  When heated to decomposition it emits toxic Vapors of /sodium oxide/.

计算性质

• 辛醇/水分配系数(LogP)：
  -1.93
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中和。如果患者停止呼吸，请开始人工呼吸，最好使用需阀复苏器、球阀口罩装置或口袋口罩，按培训操作。根据需要执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或将其置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗救助。 /酚类及其相关化合物/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Phenols and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有必要，使用口咽或鼻咽气道）。如有必要，进行吸痰。观察呼吸不足的迹象，如有必要，协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗...。监测休克，如有必要，进行治疗...。预期癫痫发作，如有必要，进行治疗...。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用0.9%的生理盐水（NS）连续冲洗每只眼睛...。给予活性炭...。不要使用催吐剂。在去污染后，用干燥、无菌的敷料覆盖皮肤烧伤...。保持体温。 /酚类及其相关化合物/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Administer activated charcoal ... . Do not use emetics. Cover skin burns with dry, sterile dressings after decontamination ... . Maintain body temperature. /Phenols and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的正压通气技术可能有益。考虑使用药物治疗肺水肿……。监测心率和必要时治疗心律失常……。开始静脉输注D5W /SRP: "保持开放"，最低流量/。如果出现低血容量迹象，使用0.9%生理盐水（NS）或乳酸林格液（LR）。对于伴有低血容量迹象的低血压，谨慎给予液体。如果病人在正常血容量时出现低血压，考虑使用血管加压药。注意液体过载的迹象……。如果病人在严重低氧血症、发绀和心脏受损（对氧疗无反应）的情况下出现症状，给予1%亚甲蓝溶液……。使用地西泮或劳拉西泮治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。/酚类及相关化合物/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... Treat seizures with diazepam or lorazepam. ... Use proparacaine hydrochloride to assist eye irrigation ... . /Phenols and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 医疗监测

建议进行入职体检，至少包括：...一项包括显微镜检查的尿液分析。负责的医生应考虑进行其他测试，如全血计数和肝肾功能测试。...评估工人使用正压和负压防毒面具的能力。...至少每年提供定期体检。这些检查应包括...临时医疗和工作史。...对于抱怨可能出现因接触 cresol 而导致的皮肤异常，如脱屑、结痂或刺激的员工，应进行医疗评估。...雇主应保留所有职业暴露于 cresol 的员工的有关医疗记录。这些记录应在员工离职后至少保留30年。适用于员工的环境暴露记录应包括在员工的医疗记录中。这些记录应提供给卫生与公共服务部长指定的医疗代表、劳工部长、雇主、员工或前员工。/Cresol/

/It was recommended that a/ preplacement medical examinations should include at least: ... a urinalysis that includes a microscopic examination. Additional tests, such as complete blood counts and liver and kidney function tests, should be considered by the responsible physican. ... An evaluation of the worker's ability to use positive and negative pressure respirators. ... Periodic examinations shall be made available on at least an annual basis. These examinations should include ... interim medical and work histories. ... Employees complaining of skin abnormalities, such as scaling, crusting, or irritation, that may be attributed to exposure to cresol shall be medically evaluated. ... Pertinent medical records shall be maintained by the employer for all employees occupationally exposed to cresol. Such records shall be retained for at least 30 years after termination of employment. Records of environmental exposures applicable to an employee shall be included in the employee's medical records. These records shall be made available to the designated medical representatives of the /Secretary of Health and Human Services/, the Secretary of Labor, and the employer, employee, or former employee. /Cresol/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

口腔和喉咙灼痛。口腔、食道和胃部有白色坏死性病变。腹痛、呕吐...和血性腹泻。苍白、出汗、虚弱、头痛、眩晕、耳鸣。休克：脉搏微弱不规则，低血压，呼吸浅表，发绀，苍白，体温急剧下降。可能伴有短暂的兴奋和混乱，随后失去意识...鼾声呼吸，湿性啰音，哮鸣音，鼻和口有泡沫和其他肺水肿迹象。呼吸中有苯酚的特征性气味。尿液稀少，颜色深...可能出现中度至重度的肾功能不全。报告过高铁血红蛋白血症、海因茨体溶血性贫血和高胆红素血症...死于呼吸、循环或心脏衰竭。如果溅到皮肤上，疼痛之后迅速出现麻木。皮肤变得苍白，烧伤处形成一个干燥不透明的焦痂。当焦痂脱落，留下棕色斑痕。/苯酚/

/SIGNS AND SYMPTOMS/ Burning pain in mouth and throat. White necrotic lesions in mouth, esophagus and stomach. Abdominal pain, vomiting ... and bloody diarrhea. Pallor, sweating, weakness, headache, dizziness, tinnitus. Shock: Weak irregular pulse, hypotension, shallow respirations, cyanosis, pallor, and a profound fall in body temperature. Possibly fleeting excitement and confusion, followed by unconsciousness ... Stertorous breathing, mucous rales, rhonchi, frothing at nose and mouth and other signs of pulmonary edema are sometimes seen. Characteristic odor of phenol on the breath. Scanty, dark-colored ... urine ... moderately severe renal insufficiency may appear. Methemoglobinemia, Heinz body hemolytic anemia and hyperbilirubinemia have been reported ... Death from respiratory, circulatory or cardiac failure. If spilled on skin, pain is followed promptly by numbness. The skin becomes blanched, and a dry opaque eschar forms over the burn. When the eschar sloughs off, a brown stain remains. /Phenol/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  8
• 包装等级：
  III
• 危险类别：
  8

反应信息

• 作为反应物：
  描述：

  sodium o-cresolate 在 N-溴代丁二酰亚胺(NBS) 、 polyphosphate ester 、 三(3,6-二氧杂庚基)胺 、 copper(l) chloride 、 过氧化苯甲酰 作用下， 以 1,4-二氧六环 、 四氯化碳 为溶剂， 反应 11.5h， 生成 4-bromomethyl-6-chloro-9-xanthenone
  参考文献：
  名称：

  Potential antitumor agents. 58. Synthesis and structure-activity relationships of substituted xanthenone-4-acetic acids active against the colon 38 tumor in vivo

  摘要：

  In a search for compounds related to flavoneacetic acid with activity against solid tumors, a series of methyl-, methoxy-, chloro-, nitro-, and hydroxy-substituted xanthenone-4-acetic acids have been synthesized and evaluated against subcutaneously implanted colon adenocarcinoma 38 in vivo, using a short-term histology assay as a primary screening system. A major goal of this work was to identify compounds with similar profiles of activity to that of flavoneacetic acid but of higher potency. The level of activity of the compounds appeared to depend more on the nature of the substituent than its positioning, in the order Cl greater than Me, OMe greater than NO2, OH. However, the potency of the compounds was related much more to the position rather than the nature of the substitution, with 5-substituted compounds being clearly the most dose potent. 5-Methylxanthenone-4-acetic acid has a similar level of activity to that of flavoneacetic acid in the test systems employed but is more than 7-fold as dose potent.

  DOI：

  10.1021/jm00124a012
• 作为产物：
  描述：

  邻甲酚 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 sodium o-cresolate
  参考文献：
  名称：

  Ni催化芳基交换反应合成芳基硫化物

  摘要：

  通过芳基硫化物与多种芳基亲电试剂之间的芳基交换反应，开发了镍催化芳基硫化物合成。通过使用2-吡啶基硫醚作为硫化物供体，该反应实现了芳基硫化物的合成，而无需使用有臭味和有毒的硫醇。使用能够裂解和形成芳基-S 键的 Ni/dcypt 催化剂对于 2-吡啶基硫化物和芳基亲电试剂之间的芳基交换反应很重要，包括芳族酯、芳醇衍生物和芳基卤化物。机理研究表明，Ni/dcypt 可以同时进行芳基硫化物和芳族酯的氧化加成，然后在生成的芳基-Ni-SR 和芳基-Ni-OAr 物种之间进行配体交换，以提供芳基交换化合物。

  DOI：

  10.1021/jacs.1c04215
• 作为试剂：
  描述：

  邻甲酚 、 丙烯腈 在 sodium o-cresolate 作用下， 生成 3-(o-tolyloxy)propanenitrile
  参考文献：
  名称：

  Colonge; Guyot, Bulletin de la Societe Chimique de France, 1957, p. 1228

  摘要：

  DOI：

文献信息

• An adaptive social network for information access: Theoretical and experimental results
  作者：Bin Yu、Mahadevan Venkatraman、Munindar P. Singh

  DOI：10.1080/713827056

  日期：2003.1

  approaches, our architecture is fully distributed and includes agents who preserve the privacy and autonomy of their users. These agents learn models of each other in terms of expertise (ability to produce correct domain answers) and sociability (ability to produce accurate referrals). We study our framework experimentally to study how the social network evolves. Specifically, we find that under our multi-agent

  我们考虑了一个软件代理的社交网络，他们互相帮助，帮助用户查找信息。与之前的大多数方法不同，我们的架构是完全分布式的，并且包括保护用户隐私和自主权的代理。这些代理在专业知识（产生正确领域答案的能力）和社交能力（产生准确推荐的能力）方面相互学习模型。我们通过实验研究我们的框架，以研究社交网络如何发展。具体来说，我们发现在我们的多智能体学习启发式下，网络的质量随着交互而提高：当同时考虑专业知识和社交能力时，质量最大化；枢轴代理进一步提高了网络的质量，并对其质量产生催化作用，即使它们最终被移除。而且，
• Process for the stereospecific synthesis of indole derivatives
  申请人：Societe Anonyme: Sanofi

  公开号：US04806655A1

  公开（公告）日：1989-02-21

  The present invention relates to a process for the stereo-specific synthesis of indole derivatives of formula: ##STR1## which consists in using 3-tosyloxy-1,2-O-isopropylidenepropane-1,2-diol (II) in an optically pure form in order to introduce the asymetric carbon C* of compound (I). Compound (II) is condensed with a suitable primary amine in order to prepare an oxazolidinone and condensation with a suitable phenol, and the oxazolidinone ring is then opened to form an indole compound (I).

  本发明涉及一种立体特异性合成式I所示吲哚衍生物的方法，该方法包括使用光学纯形式的3-甲苯磺氧基-1,2-O-异丙叉丙烷-1,2-二醇(II)以引入化合物(I)的不对称碳C*。化合物(II)与适宜的伯胺缩合以制备噁唑烷酮，并与适宜的酚缩合，随后打开噁唑烷酮环以形成吲哚化合物(I)。
• Nucleophilic Addition to the η²-Alkyne Ligand in [CpFe(CO)₂(η²-R−C⋮C−R)]⁺. Dependence of the Alkenyl Product Stereochemistry on the Basicity of the Nucleophile
  作者：Munetaka Akita、Satoshi Kakuta、Shuichiro Sugimoto、Masako Terada、Masako Tanaka、Yoshihiko Moro-oka

  DOI：10.1021/om010095t

  日期：2001.6.1

  acyl intermediates formed by initial nucleophilic addition of basic nucleophiles at the CO ligand, (2) trans-alkenyl complexes 4 result from addition of less basic nucleophiles to the η2-alkyne ligand from the exo-side, and (3) the equilibrium of the CO addition governed by the basicity of the nucleophile is the key step of the diversity of the stereochemistry of the alkenyl products. Reactions of

  阳离子η的反应2 -alkyne铁络合物，[FP（η 2 -Ph-C⋮CPH）] BF 4（1）[Fp的=（η 5 -C 5 H ^ 5）的Fe（CO）2 ]，各种O-，N-和C-亲核试剂提供了包含Ph-C C-Ph键的产物。即，顺式- （3）和反式-烯基配合物（4），FP-C（PH）C（Ph） -组成女，和metallacycles中，Cp（CO）的Fe-C（PH）C（PH）-C（Ô ）-Nu [在O（5）或Nu（6）]。的C的构造的晶体学测定用C部分3点4的产物分布的和分析表明，基本亲核试剂轴承烷基取代基产生的顺式烯基配合物（3）和/或所述metallacycles（5，6），而碱性较弱的带有芳基取代基的亲核试剂提供了反式-烯基配合物（4）。亲核试剂的产物分布与p K b值之间的相关性得出以下结论：（1）产物3，5，和6从由初始的亲核加成基本亲核试剂在CO的配体形成的酰基中间体出现，（
• Novel Synthesis, Reactivity, and Stereochemistry of Substituted 3-Trifluoromethyl- and 3-Perfluoroalkyl-3-phenoxyprop-2-enal
  作者：Salem El Kharrat、Philippe Laurent、Hubert Blancou

  DOI：10.1021/jo060764i

  日期：2006.9.1

  Substituted 3-phenoxy-3-perfluoroalkylprop-2-enals 3a−s are synthesized in high yields starting from a gem-iodoacetoxy derivative 1 and phenoxides 2. Then efficient syntheses of push−pull derivatives 4, 5, 8a,b, and nonconjugated analogues 6 and 7 illustrate the synthetic potentialities of 3. Stereochemical studies of these perfluoroalkyl-containing trisubstituted olefinic derivatives 3−8b revealed

  取代的3-苯氧基-3-全氟烷基丙-2-烯醛3a - s从宝石-碘乙酰氧基衍生物1和酚盐2开始高收率地合成。然后推挽衍生物的有效合成4，5，图8a，b，和非共轭类似物6和7示出的合成潜力3。这些含全氟烷基三取代的烯烃衍生物的立体化学研究，3 -图8b显示，4 Ĵ CF在13 C NMR光谱中观察到的偶合常数对于确定它们在溶液中的构型和构象至关重要。上推挽的立体化学溶剂极性效应的化合物3 - 5和图8a，b进行了研究。观察到异常的中等极性对亚氨基烯醇醚衍生物4的立体化学的影响。
• Plutonium Oxide Systems and Related Corrosion Products
  作者：R.G. Haire、J.M. Haschke

  DOI：10.1557/mrs2001.179

  日期：2001.9

  Elemental plutonium is considered to be one of the most complex elements in the periodic table and, by some, one of the more toxic, given its moderate radioactivity and that it is a heavy metal. Essentially a manuf actured element (only traces are found in nature), it was first discovered and produced some six decades ago. Amazingly, hundreds of tons of plutonium are pre sently in existence. Crystalline solids formed by plutonium and nonmetallic elements (e.g., hydrogen, oxygen, halides, etc.) were some of the first compounds investigated, and oxides and oxide-related materials have always been important compounds.

  钚元素被认为是周期表中最复杂的元素之一，也被一些人认为是更有毒的元素之一，因为它具有适度的放射性并且是一种重金属。钚本质上是一种人造元素（自然界中只有微量存在），大约六十年前首次被发现和生产。令人惊讶的是，目前存在着数百吨的钚。钚和非金属元素（如氢、氧、卤素等）形成的晶体固体是最早被研究的化合物之一，氧化物和与氧化物相关的材料一直是重要的化合物。