(2-甲基磺酰基苯基)-甲醇 | 33384-77-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2-甲基磺酰基苯基)-甲醇
• 英文名称: 2-(methylthio)benzyl alcohol
• 英文别名: [2-(Methylsulfanyl)phenyl]methanol；(2-methylsulfanylphenyl)methanol
• CAS: 33384-77-9
• 化学式: C₈H₁₀OS
• mdl: MFCD00196825
• 分子量: 154.233
• InChiKey: CYHMKGIVLYBEFY-UHFFFAOYSA-N

物化性质

• 沸点：
  88 °C(Press: 0.001 Torr)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: [2-(Methylsulfanyl)phenyl]methanol
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: [2-(Methylsulfanyl)phenyl]methanol
CAS number: 33384-77-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H10OS
Molecular weight: 154.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (2-甲基磺酰基苯基)-甲醇 反应 1.67h， 生成 2,3-二氢苯并[b]噻吩
  参考文献：
  名称：

  Cadogan, J. I. G.; Husband, James B.; McNab Hamish, Journal of the Chemical Society. Perkin transactions II, 1983, p. 697 - 702

  摘要：

  DOI：
• 作为产物：
  描述：

  硫代水杨酸 在 硫酸 sodium hydroxide 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (2-甲基磺酰基苯基)-甲醇
  参考文献：
  名称：

  Hemilabile behavior of a thioether-functionalized N-heterocyclic carbene ligand

  摘要：

  一种新型硫醚功能化N-杂环卡宾配体的真正半易解性质在一系列Pd(II)络合物中得到了展示。

  DOI：

  10.1039/b608325k

文献信息

• New synthetic methods : sodium alkanechalcogenates as demethylating agents. Scope, limitation and new one-pot synthesis of diaryldiselenides.
  作者：Michel Evers、Léon Christiaens

  DOI：10.1016/s0040-4039(00)81412-4

  日期：——

  Sodium alkanechalcogenates (S, Se) cleave the alkylarylchalcogenides (O, S, Se). The versatility of such reagents is developed and applied to a new synthesis of diaryldiselenides.

  链烷硫属酸钠（S，Se）裂解烷基芳基硫属化物（O，S，Se）。开发了这种试剂的多功能性并将其应用于二芳基二硒化物的新合成中。
• 1-D manganese(<scp>ii</scp>)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds
  作者：Guoqi Zhang、Haisu Zeng、Sihan Li、Jahvon Johnson、Zixuan Mo、Michelle C. Neary、Shengping Zheng

  DOI：10.1039/c9dt04637b

  日期：——

  importance and shows potential in replacing precious metal catalysis. In this work, we revealed catalytic hydroboration and hydrosilylation of ketones and aldehydes achieved by a structurally defined manganese(ii) coordination polymer (CP) as a precatalyst under mild conditions. The manganese-catalysed methodology can be applied to a range of functionalized aldehydes and ketones with turnover numbers (TON)

  目前，利用富含地球的金属进行的还原催化作用越来越重要，并显示出替代贵金属催化作用的潜力。在这项工作中，我们揭示了在温和条件下通过结构定义的锰（ii）配位聚合物（CP）作为预催化剂实现的酮和醛的催化加氢硼化和氢硅烷化。锰催化的方法学可以应用于周转率（TON）高达990的一系列功能化醛和酮。还给出了通过Mn-CP催化剂对苯乙烯进行区域选择性催化加氢官能化的初步结果。
• Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines
  作者：Jing Wu、Haisu Zeng、Jessica Cheng、Shengping Zheng、James A. Golen、David R. Manke、Guoqi Zhang

  DOI：10.1021/acs.joc.8b01094

  日期：2018.8.17

  Highly effective hydroboration precatalyst is developed based on a cobalt(II)-terpyridine coordination polymer (CP). The hydroboration of ketones, aldehydes, and imines with pinacolborane (HBpin) has been achieved using the recyclable CP catalyst in the presence of an air-stable activator. A wide range of substrates containing polar C═O or C═N bonds have been hydroborated selectively in excellent yields

  基于钴（II）-吡啶吡啶配位聚合物（CP）开发了高效的硼氢化前催化剂。酮，乙醛和亚胺与频哪醇硼烷（HBpin）的氢硼化已经在空气稳定的活化剂存在下使用可回收的CP催化剂实现了。含有极性C═O或C═N键的多种底物已在环境条件下以优异的收率选择性氢硼化。
• Inhibitors of c-Jun N-terminal kinases
  申请人：Liu Gang

  公开号：US20060173050A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds that are inhibitors of c-jun N-terminal kinase 1, 2, or 3 (JNK1, JNK2, or JNK3), compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by the activation of JNK1, JNK2 and JNK3.

  本发明涉及作为c-jun N-末端激酶1、2或3（JNK1、JNK2或JNK3）抑制剂的化合物，包含这些化合物的组合物以及这些化合物在预防或治疗由JNK1、JNK2和JNK3激活调控的疾病中的用途。
• Interrupted Pummerer Reaction in Latent‐Active Glycosylation: Glycosyl Donors with a Recyclable and Regenerative Leaving Group
  作者：Penghua Shu、Xiong Xiao、Yueqi Zhao、Yang Xu、Wang Yao、Jinyi Tao、Hao Wang、Guangmin Yao、Zimin Lu、Jing Zeng、Qian Wan

  DOI：10.1002/anie.201507861

  日期：2015.11.23

  Latent O‐glycosides, 2‐(2‐propylthiol)benzyl (PTB) glycosides, were converted into the corresponding active glycosyl donors, 2‐(2‐propylsulfinyl)benzyl (PSB) glycosides, by a simple and efficient oxidation. Treatment of the PSB donor and various acceptors with triflic anhydride provided the desired glycosides in good to excellent yields. The leaving group, which was activated by an interrupted Pummerer

  通过简单而有效的氧化，将潜在的O-糖苷2-（2-丙基硫醇）苄基（PTB）糖苷转化为相应的活性糖基供体2-（2-丙基亚磺酰基）苄基（PSB）糖苷。用三氟甲磺酸酐处理PSB供体和各种受体可提供所需糖苷，收率良好至极佳。可以通过Pummerer反应中断而激活的离去基团可以循环（PSB-OH）并再生为前体（PTB-OH）。用这种新开发的方法，以收敛的[3 + 1]方式有效地合成了天然的保护肝脏的糖苷，莱诺糖苷F。本发明的总合成也导致该苯乙酮类糖苷的结构改变。