2-(2-吡啶硫代)-1-乙醇 | 77555-27-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-(2-吡啶硫代)-1-乙醇
• 英文名称: 2-(β-hydroxyethylthio)pyridine
• 英文别名: (hydroxy-2 ethyl)(pyridyl-2) sulfure；2-(pyridin-2'-ylsulfanyl)ethanol；2-(pyridin-2-ylsulfanyl)ethanol；2-pyridin-2-ylsulfanyl-ethanol；2-[2]pyridylmercapto-ethanol；2-[2]Pyridylmercapto-aethanol；2-(2-Pyridylthio)ethan-1-ol；2-pyridin-2-ylsulfanylethanol
• CAS: 77555-27-2
• 化学式: C₇H₉NOS
• mdl: MFCD00067848
• 分子量: 155.221
• InChiKey: VKXCZEICJYQFIT-UHFFFAOYSA-N

物化性质

• 熔点：
  113-114 °C
• 沸点：
  107 °C
• 密度：
  1.2243 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  58.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  应存放在室温、避光且处于惰性气体保护的环境中。

SDS

Name:	2-(2-Pyridylthio)ethan-1-ol 97% Material Safety Data Sheet
Synonym:
CAS:	77555-27-2

Section 1 - Chemical Product MSDS Name:2-(2-Pyridylthio)ethan-1-ol 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
77555-27-2	2-(2-Pyridylthio)ethan-1-ol	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 77555-27-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 107 - 108 deg C @0.4mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H9NOS
Molecular Weight: 155

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 77555-27-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2-Pyridylthio)ethan-1-ol - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 77555-27-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 77555-27-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 77555-27-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(2-吡啶硫代)-1-乙醇 在 manganese(II) triflate 、 1-金刚烷甲酸 、 1-N,2-N-bis[2-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzene-1,2-diamine 、 双氧水 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以83%的产率得到2-(2-pyridinylsulfinyl)-ethanol
  参考文献：
  名称：

  高价锰（IV）-氧代阳离子自由基氧化中间体对杂芳族硫化物的高度化学选择性和对映选择性催化氧化

  摘要：

  锰复合物与卟啉样配体，其催化的杂芳硫化物，包括咪唑，苯并咪唑，吲哚，吡啶，嘧啶，吡嗪，的高度化学选择性和对映选择性氧化符号嗪，噻吩，噻唑，苯并噻唑，苯并恶唑和，与过氧化氢如描述的那样，在短的反应时间（0.5h）内以良好至优异的产率和对映选择性（高达90％产率和高达＞ 99％ee）提供相应的亚砜。该方法的实际实用性已在克规模的手性亚砜的合成中得到证明。用18 O标记水（H 2 18 O），过氧化氢（H 2 18 O 2）和氢过氧化枯基表明，通过羧酸协助的O-O键杂化作用，生成了高价的锰-氧代氧离子作为氧原子传递剂。还进行了密度泛函理论（DFT）计算，以进一步了解锰催化的硫氧化机理。在理论研究的基础上，提出了基于细胞色素P450和金属卟啉模型的高价锰（IV）-氧代阳离子自由基与催化氧化反应中的反应中间体具有明显相似性的化合物。非血红素锰催化剂体系中的活性氧化剂。

  DOI：

  10.1021/acscatal.7b00968
• 作为产物：
  描述：

  2-溴吡啶 、 2-巯基乙醇 在 sodium hydride 、 水 作用下， 以 六甲基磷酰三胺 为溶剂， 反应 42.67h， 以72%的产率得到2-(2-吡啶硫代)-1-乙醇
  参考文献：
  名称：

  N-杂环配体的合成，用于亲和色谱和混合模式色谱

  摘要：

  已合成了一组杂环配体，用于制备混合模式亲和色谱吸附剂，以用于纯化包括抗体在内的蛋白质。配体结构设计为由吡啶基或相关的氮杂杂环核组成，它们带有一个含烷基胺，烷硫醇或羟烷基亲核基团的侧链，以使其易于固定在活化的载体基质上。通过改变杂环核和亲核基团之间的烷基链的长度，改变烷基链与杂环的连接位置，以及将额外的取代基掺入吡啶基或相关的氮杂杂环中，可以实现配体多样性。配体结构的这种多样性旨在实现配体的关键结构特征，有效的蛋白质结合所需的待确定。与先前使用的用于制备类似的取代吡啶或氮杂杂环化合物的多步骤方法相反，本文所述配体的合成途径通常利用与容易获得的杂环前体的非常温和的一步反应。

  DOI：

  10.1016/j.tet.2010.11.003

文献信息

• THIAZOLIDINONE COMPOUNDS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170253569A1

  公开（公告）日：2017-09-07

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。
• Etude des reactions de srn1—partie 10
  作者：René Beugelmans、Michèle Bois-Choussy、Bernard Boudet

  DOI：10.1016/s0040-4020(01)88635-x

  日期：1983.1

  Functionalized aromatic halides Ar1XY (Ar1 = C6H4, Y = OCH3, CONH2, CN, COCH3, CHO, COC6H5) undergo SRN1 reactions with sulphur anions -SR, either simple (R=C2H5, CH2C6H5) or functionalized (R = (CH2)2OH, (CH2)2CO2Et, CH2CO2Et). Products Ar1YS- formed from the fragmentation of the radical anion Ar1YSR- are related to the redox potential of the aryl moiety Ar1Y and with the energy of the bond S-R. In

  官能化的芳族卤化物的Ar 1 XY（AR 1 = C 6 H ^ 4，Y = OCH 3，CONH 2，CN，COCH 3，CHO，COC 6 H ^ 5）经历小号RN 1个反应用硫阴离子- SR，无论是简单的（R ＝ C 2 H 5，CH 2 C 6 H 5）或官能化的（R ＝（CH 2）2 OH，（CH 2）2 CO 2 Et，CH 2 CO 2 Et）。产品Ar1个YS -从阴离子自由基的Ar的碎片形成1 YSR -都与芳基部分Ar的氧化还原电位1 Y和与接合SR的能量。在杂环系列（Ar 2 =吡啶，Ar 3 =喹啉）中，出现了相似的关系，但带有吸电子基团的吡啶底物发生竞争性S N（Ar）反应。据报道，通过S RN 1反应可直接合成苯并噻吩，并基于S N（Ar）反应可改进噻吩并吡啶的合成。
• Compounds
  申请人：——

  公开号：US20030073862A1

  公开（公告）日：2003-04-17

  The present invention relates to 2-(benzoylamino)benzoic acid derivatives of the formula I 1 wherein the variants Ar, X and R are as described in the specification. The said compounds modulate the activity of peroxisome proliferator-activated receptors (PPAR) &agr; and/or &ggr;, and are predicted to be useful in the treatment of metabolic diseases, e.g. type II diabetes.

  本发明涉及式I1的2-(苯甲酰氨基)苯甲酸衍生物，其中变体Ar、X和R如规范中所述。所述化合物调节过氧化物酶增殖物激活受体(PPAR)α和/或γ的活性，并预计可用于治疗代谢性疾病，例如II型糖尿病。
• 2-Propene-1-Ones As Hsp 70 Inducers
  申请人：Kumar Prabhat

  公开号：US20080207608A1

  公开（公告）日：2008-08-28

  The present invention relates to novel compounds of 2-propene-1-one series, of general formula (I), their derivatives, analogs, tautomeric forms, stereoisomers, polymorphs, pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them, wherein R 5 , R 6 , Q and Y are as defined in the specification. The present invention also relates to a process for preparing such compounds, compositions containing such compounds, and use of such compound and composition in medicine. The compounds of the general formula (I) induce HSP-70 and are useful for the treatment of diseases accompanying pathological stress in a living mammalian organism, including a human being, such as stroke, myocardial infarction, inflammatory disorder, hepatotoxicity, sepsis, diseases of viral origin, allograft rejection, tumourous diseases, gastric mucosal damage, brain haemorrhage, endothelial dysfunctions, diabetic complications, neuro-degenerative diseases, post-traumatic neuronal damage, acute renal failure, glaucoma and aging related skin degeneration.

  本发明涉及2-丙烯酮系列的新化合物，通式为（I），它们的衍生物，类似物，互变异构体，立体异构体，多晶形，药学上可接受的盐，药学上可接受的溶剂和含有它们的药学上可接受的组合物，其中R5，R6，Q和Y如规范中所定义。本发明还涉及制备这种化合物的过程，含有这种化合物的组合物，以及在医学上使用这种化合物和组合物。通式（I）的化合物诱导HSP-70，并用于治疗伴随病理应激的疾病，包括中风，心肌梗死，炎症性疾病，肝毒性，败血症，病毒性疾病，异体移植排斥，肿瘤性疾病，胃黏膜损伤，脑出血，内皮功能障碍，糖尿病并发症，神经退行性疾病，创伤后神经损伤，急性肾衰竭，青光眼和与衰老相关的皮肤退化。
• VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0620003A1

  公开（公告）日：1994-10-19

  A benzazepine compound represented by formulae (I) or (II) or a salt thereof, and a vasopressin antagonist or an oxytocin antagonist containing the above compound as the active ingredient.

  由式（I）或（II）代表的苯并氮杂卓化合物或其盐，以及含有上述化合物作为活性成分的血管加压素拮抗剂或催产素拮抗剂。