(1-甲基-1H-吡咯-2-YL)甲醇 | 52160-51-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: (1-甲基-1H-吡咯-2-YL)甲醇
• 中文别名: (1-甲基-1H-吡咯-2-基)甲醇；(1-甲基-1H-吡咯-2-基)甲醇钠
• 英文名称: (1-methyl-1H-pyrrole-2-yl)-methanol
• 英文别名: (1-methyl-1H-pyrrole-2-yl)methanol；(1-methyl-1H-pyrrol-2-yl)methanol；N-methyl-2-hydroxymethylpyrrole；(1-methylpyrrol-2-yl)methanol；(methylpyrrol-2-yl)methanol；2-hydroxymethyl-1-methylpyrrole
• CAS: 52160-51-7
• 化学式: C₆H₉NO
• mdl: MFCD01688413
• 分子量: 111.144
• InChiKey: BHGUSWOZYFZTMG-UHFFFAOYSA-N

物化性质

• 熔点：
  28-30 °C(Solv: ligroine (8032-32-4); benzene (71-43-2))
• 沸点：
  98-100 °C(Press: 11 Torr)
• 密度：
  1.070 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302,H317

SDS

Name:	(1-Methyl-1H-pyrrol-2-yl)methanol 97% Material Safety Data Sheet
Synonym:
CAS:	52160-51-7

Section 1 - Chemical Product MSDS Name:(1-Methyl-1H-pyrrol-2-yl)methanol 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
52160-51-7	(1-Methyl-1H-pyrrol-2-yl)methanol	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:
Vacuum or sweep up material and place into a suitable disposal 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# 52160-51-7: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 28 - 30 deg C
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: C6H9NO
Molecular Weight: 111.14

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 52160-51-7: UX9637000 LD50/LC50:
Not available.
Carcinogenicity:
(1-Methyl-1H-pyrrol-2-yl)methanol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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# 52160-51-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52160-51-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52160-51-7 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：

  (1-甲基-1H-吡咯-2-YL)甲醇 在 镍 aq.ammonium hydroxide 作用下， 以 二氯甲烷 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 生成 (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (1-methyl-1H-pyrrol-2-ylmethyl)-amide
  参考文献：
  名称：

  设计，合成和生物学评估新型花生四烯酸衍生物作为高效和选择性的内源性大麻素转运蛋白抑制剂。

  摘要：

  在目前的工作中，我们已经设计并合成了一系列具有通用结构I的花生四烯酸衍生物，这些衍生物被表征为高效和选择性的Anandamide转运蛋白抑制剂（IC（50）= 24-0.8 microM，K（i）> 1000 -5000 nM用于CB（1）和CB（2）大麻素受体和香草类VR（1）受体）。其中，N-（3-呋喃甲基）二十碳五，8、11、14-四烯酰胺是迄今为止描述的最有效的内源性大麻素转运蛋白抑制剂（IC（50）= 0.8 microM），值得特别关注。

  DOI：

  10.1021/jm015545y
• 作为产物：
  描述：

  吡咯-2-羧酸 在 甲醇 、 lithium aluminium tetrahydride 、 乙醚 、 氢化钾 、 甲苯 作用下， 生成 (1-甲基-1H-吡咯-2-YL)甲醇
  参考文献：
  名称：

  Doyle et al., Journal of the Chemical Society, 1958, p. 4458,4462

  摘要：

  DOI：

文献信息

• A convenient nickel-catalysed hydrosilylation of carbonyl derivatives
  作者：Jianxia Zheng、Christophe Darcel、Jean-Baptiste Sortais

  DOI：10.1039/c2cy20509b

  日期：——

  Hydrosilylation of aldehydes and ketones catalysed by nickel acetate and tricyclohexylphosphine as the catalytic system was demonstrated using polymethylhydrosiloxane as a cheap reducing reagent.

  使用聚甲基氢硅氧烷作为廉价还原剂，展示了由乙酸镍和三环己基膦组成的催化系统催化醛和酮的氢硅化反应。
• Quinolines useful in treating cardiovascular disease
  申请人：Collini D. Michael

  公开号：US20050131014A1

  公开（公告）日：2005-06-16

  This invention provides compounds of formula I that are useful in the treatment or inhibition of LXR mediated diseases.

  本发明提供了式I化合物的用途，它们在治疗或抑制LXR介导的疾病中是有用的。
• Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use
  申请人：Tegley Christopher

  公开号：US20050054670A1

  公开（公告）日：2005-03-10

  Selected compounds are effective for prophylaxis and treatment of diseases, such as angiogenesis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物对于预防和治疗疾病，如介导血管生成的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药及其药用可接受的盐，用于预防和治疗涉及癌症等疾病和其他疾病或病况的药物组合物和方法。该发明还涉及制备此类化合物的方法，以及在此类方法中有用的中间体。
• Deep eutectic solvents as H2-sources for Ru(II)-catalyzed transfer hydrogenation of carbonyl compounds under mild conditions
  作者：Marzia Cavallo、Davide Arnodo、Alberto Mannu、Marco Blangetti、Cristina Prandi、Walter Baratta、Salvatore Baldino

  DOI：10.1016/j.tet.2021.131997

  日期：2021.3

  affordable ruthenium(II)-complexes as pre-catalysts in the transfer hydrogenation of carbonyl compounds in deep eutectic media is described for the first time. The eutectic mixture tetrabutylammonium bromide/formic acid = 1/1 (TBABr/HCOOH = 1/1) acts both as reaction medium and hydrogen source. The addition of a base is required for the process to occur. An extensive optimization of the reaction conditions has

  首次描述了在深度共晶介质中羰基化合物转移加氢中使用廉价的钌（II）络合物作为预催化剂的方法。低共熔混合物四丁基溴化铵/甲酸= 1/1（TBABr / HCOOH = 1/1）既充当反应介质，又充当氢源。要进行该过程，需要添加碱。在催化剂负载量，配合物类型，H 2-给体，反应温度和时间方面，已经对反应条件进行了广泛的优化。二聚体复合物[RuCl（p- Cymene）-μ- Cl] 2的组合（0.01–0.05当量）和配体dppf（1,1'-二茂铁基-双（二苯基膦）二茂铁）的摩尔比为1/1，已被证明是一种适合的催化体系，可将多种醛和酮还原为在空气中温和条件（40–60°C）下，其相应的醇显示出对不同官能团（卤素，氰基，硝基，苯酚）的中等至极好的耐受性。还研究了亚胺化合物还原成其相应的胺衍生物。此外，在TBABr / HCOOH和有机溶剂中获得的结果之间的比较表明，在此过程中，DES介质具有无害的作用。
• Hydrosilylation of Aldehydes and Ketones Catalyzed by an N-Heterocyclic Carbene-Nickel Hydride Complex under Mild Conditions
  作者：Linus P. Bheeter、Mickaël Henrion、Lydia Brelot、Christophe Darcel、Michael J. Chetcuti、Jean-Baptiste Sortais、Vincent Ritleng

  DOI：10.1002/adsc.201200460

  日期：2012.10.8

  Half-sandwich N-heterocyclic carbene (NHC)-nickel complexes of the general formula [Ni(NHC)ClCp†] (Cp†=Cp, Cp*) efficiently catalyze the hydrosilylation of aldehydes and ketones at room temperature in the presence of a catalytic amount of sodium triethylborohydride and thus join the fairly exclusive club of well-defined nickel(II) catalyst precursors for the hydrosilylation of carbonyl functionalities

  通式[Ni（NHC）ClCp † ]（Cp † = Cp，Cp *）的半三明治N-杂环卡宾（NHC）-镍配合物在室温下在有氮原子存在的情况下有效催化醛和酮的氢化硅烷化催化量的三乙基硼氢化钠，因此加入了明确定义的镍（II）催化剂前体的排他性俱乐部，用于羰基官能团的氢化硅烷化。值得注意的是分离出一种中间体氢化镍配合物，事实证明该中间体是真正的催化剂前体。