(5-乙基吡啶-2-基)甲醇 | 768-61-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: (5-乙基吡啶-2-基)甲醇
• 英文名称: 2-hydroxymethyl-5-ethyl pyridine
• 英文别名: (5-ethylpyridin-2-yl)methanol；2-(5-ethylpyridyl)carbinol；(5-ethyl-[2]pyridyl)-methanol；(5-Aethyl-[2]pyridyl)-methanol；5-ethyl-2-hydroxymethylpyridine；2-Hydroxymethyl-5-ethyl-pyridin
• CAS: 768-61-6
• 化学式: C₈H₁₁NO
• mdl: MFCD08059843
• 分子量: 137.181
• InChiKey: LIRQOUKPZWQBRE-UHFFFAOYSA-N

物化性质

• 沸点：
  116.0-117.5 °C(Press: 5 Torr)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : (5-Ethylpyridin-2-Yl)Methanol
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R41
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 137,18 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
(5-Ethylpyridin-2-Yl)Methanol
<= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
(5-Ethylpyridin-2-Yl)Methanol
Xi, R41 <= 100 %

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Avoid
breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
No data available
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of R-phrases referred to under sections 2 and 3
Xi Irritant
R41 Risk of serious damage to eyes.
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  (5-乙基吡啶-2-基)甲醇 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 120.0h， 以61%的产率得到5-乙基吡啶-2-甲醛
  参考文献：
  名称：

  Synthesis and characterization of the anticancer and metal binding properties of novel pyrimidinylhydrazone derivatives

  摘要：

  Three novel pyrimidinylhydrazones substituted at either the aromatic moiety or at the imine carbon atom were synthesized and characterized by standard analytical methods. All compounds were found to be toxic in the micro- to submicromolar range against a diverse panel of cancer cell lines including multidrug resistant (MDR) derivatives expressing P-glycoprotein (Pgp). UV-visible spectrophotometry experiments demonstrated that the most active compound (3) forms highly stable complexes with iron(III) and copper(II) in a wide pH range with a stronger preference towards iron(III). The redox activity of the iron and copper complexes of ligand 3 was investigated using cyclic voltammetry and was tested with cellular reductants. The impact of reactive oxygen species (ROS) on the mechanism of toxicity was assessed using the ROS-sensitive cell permeable dye 2',7'-dichlorofluorescin diacetate (DCFDA). Our results demonstrate that the studied pyrimidinylhydrazones form redox-active iron and copper complexes that are capable of producing intracellular ROS, which might lead to cellular damage and cell death in cancer cells regardless of their resistance status. (C) 2014 Published by Elsevier Inc.

  DOI：

  10.1016/j.jinorgbio.2014.12.015
• 作为产物：
  描述：

  5-乙基-2-甲基-吡啶 在 双氧水 、 溶剂黄146 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 生成 (5-乙基吡啶-2-基)甲醇
  参考文献：
  名称：

  Synthesis and characterization of the anticancer and metal binding properties of novel pyrimidinylhydrazone derivatives

  摘要：

  Three novel pyrimidinylhydrazones substituted at either the aromatic moiety or at the imine carbon atom were synthesized and characterized by standard analytical methods. All compounds were found to be toxic in the micro- to submicromolar range against a diverse panel of cancer cell lines including multidrug resistant (MDR) derivatives expressing P-glycoprotein (Pgp). UV-visible spectrophotometry experiments demonstrated that the most active compound (3) forms highly stable complexes with iron(III) and copper(II) in a wide pH range with a stronger preference towards iron(III). The redox activity of the iron and copper complexes of ligand 3 was investigated using cyclic voltammetry and was tested with cellular reductants. The impact of reactive oxygen species (ROS) on the mechanism of toxicity was assessed using the ROS-sensitive cell permeable dye 2',7'-dichlorofluorescin diacetate (DCFDA). Our results demonstrate that the studied pyrimidinylhydrazones form redox-active iron and copper complexes that are capable of producing intracellular ROS, which might lead to cellular damage and cell death in cancer cells regardless of their resistance status. (C) 2014 Published by Elsevier Inc.

  DOI：

  10.1016/j.jinorgbio.2014.12.015

文献信息

• Mononuclear iron complexes relevant to nonheme iron oxygenases. Synthesis, characterizations and reactivity of Fe-Oxo and Fe-Peroxo intermediates
  作者：Aurore Thibon、Jean-François Bartoli、Sophie Bourcier、Frédéric Banse

  DOI：10.1039/b913470k

  日期：——

  spectroscopic characteristics of all L(6)(2)4E-Fe complexes are very similar to their TPEN analog. However, [(L(6)(2)4E)FeO](2+) has a greater lifetime than that of [(TPEN)FeO](2+). This can be explained by a restricted bimolecular autodegradation due to the bulkiness provided by the ethyl substituents. Regarding small organic molecule oxidation, [(L(6)(2)4E)FeO](2+) and [(L(6)(2)4E)FeOOH](2+) exhibit behaviours

  新的配体L（6）（2）4E（N，N，N'，N'-四（5-乙基-2-吡啶基甲基）乙烷-1,2-二胺）被设计为TPEN（ N，N，N′，N′-四（2-吡啶基甲基）乙烷-1，2-二胺已被报道具有稳定高价Fe-Oxo和Fe-（氢）过氧的能力。关于后者，L（6）（2）4E中的吡啶基β-取代基不会改变Fe配位化学。使用与TPEN类似物报道的合成方法相同的合成方法，从Fe（II）前体制备[FeO]（2+）和Fe（III）-（氢）过氧中间体。所有L（6）（2）4E-Fe配合物的光谱特征与它们的TPEN类似物非常相似。但是，[（L（6）（2）4E）FeO]（2+）的寿命比[（TPEN）FeO]（2+）的寿命长。这可以解释为由于乙基取代基提供的体积大而导致的双分子自降解受限。关于小有机分子的氧化，[（L（6）（2）4E）FeO]（2+）和[（L（6）（2）4E）FeOOH]（2+）表现出似乎是一般的行为。用T
• TRICYCLIC GYRASE INHIBITORS
  申请人：Bensen Daniel

  公开号：US20120238751A1

  公开（公告）日：2012-09-20

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.

  本文披露了具有式I结构的化合物，以及作为抗菌有效的三环酶抑制剂的药用盐、酯和前药，相关的药物组合物、用途和制备该化合物的方法也在考虑之中。
• [EN] QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DES GLUCOCORTICOÏDES D'INDAZOLE QUATERNAIRE
  申请人：CORCEPT THERAPEUTICS INC

  公开号：WO2021262587A1

  公开（公告）日：2021-12-30

  The present disclosure provides compounds of Formula I or II. Compounds of Formula I or II may be used in pharmaceutical formulations, and may be used for modulating glucocorticoid receptors.

  本公开提供了Formula I或II的化合物。Formula I或II的化合物可以用于制药配方，并可用于调节糖皮质激素受体。
• Process for producing heterocyclic aldehyde
  申请人：Shiomi Yasuhiro

  公开号：US20050124807A1

  公开（公告）日：2005-06-09

  The present invention provides a process for preparing a heterocyclic aldehyde by oxidizing a heterocyclic alcohol with high selectivity and high yield. Specifically, the heterocyclic aldehyde is prepared by reacting a heterocyclic compound having at least one hydroxymethyl group bonded to a carbon atom of a heterocyclic ring with a hypohalogenous acid salt in the presence of a base to oxidize the hydroxymethyl group, wherein reaction is conducted in the co-presence of a 2,2,6,6-tetramethylpiperidine-1-oxyl derivative having at least two 2,2,6,6-tetramethylpiperidine-1-oxyl-4-yl groups.

  本发明提供了一种通过氧化具有高选择性和高产率的杂环醇来制备杂环醛的方法。具体来说，通过将至少有一个羟甲基基团与杂环环的碳原子键合的杂环化合物与次氯酸盐在碱的存在下反应，氧化羟甲基基团来制备杂环醛，其中反应在共存至少具有两个2,2,6,6-四甲基哌啶-1-氧基-4-基团的2,2,6,6-四甲基哌啶-1-氧基-4-基团的2,2,6,6-四甲基哌啶-1-氧基-4-基团的共存下进行。
• 治疗肝病的药物化合物及其应用
  申请人：江苏新元素医药科技有限公司

  公开号：CN110294732B

  公开（公告）日：2021-10-26

  本发明公开了一类治疗肝病的药物化合物及其应用，其具体为通式(I)所示的化合物、光学异构体或其药学上可接受的盐。本发明所提供的化合物、光学异构体或其药学上可接受的盐对肝病，特别是脂肪肝具有疗效佳和毒性低的效果，实验显示，本发明化合物对斑马鱼非酒精性脂肪肝有明显的保护作用，因此其在应用于治疗或预防肝病，特别是脂肪肝、肝纤维化或肝硬化的药物方面，具有良好的应用前景。