[5-(2-甲基-1,3-噻唑-4-基)-2-噻吩基]甲醇 | 337508-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: [5-(2-甲基-1,3-噻唑-4-基)-2-噻吩基]甲醇
• 英文名称: [5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl] methanol
• 英文别名: 5-(2-methylthiazol-4-yl)thiophen-2-methanol；[5-(2-Methyl-1,3-Thiazol-4-Yl)-2-Thienyl]Methanol；[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol
• CAS: 337508-70-0
• 化学式: C₉H₉NOS₂
• mdl: MFCD02682035
• 分子量: 211.309
• InChiKey: CQCKNGVVCKWDLF-UHFFFAOYSA-N

物化性质

• 熔点：
  67 °C
• 沸点：
  366.0±32.0 °C(Predicted)
• 密度：
  1.345±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO（少量）、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  89.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 安全说明：
  S24/25

SDS

Name:	[5-(2-Methyl-1 3-thiazol-4-yl)-2-thienyl]methanol 97% Material Safety Data Sheet
Synonym:
CAS:	337508-70-0

Section 1 - Chemical Product MSDS Name:[5-(2-Methyl-1 3-thiazol-4-yl)-2-thienyl]methanol 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
337508-70-0	[5-(2-Methyl-1,3-thiazol-4-yl)-2-thien	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# 337508-70-0: 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: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 58 - 60 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: C9H9NOS2
Molecular Weight: 211.31

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Reducing agents, oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 337508-70-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
[5-(2-Methyl-1,3-thiazol-4-yl)-2-thienyl]methanol - 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# 337508-70-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 337508-70-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 337508-70-0 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：

  [5-(2-甲基-1,3-噻唑-4-基)-2-噻吩基]甲醇 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以1.73 g的产率得到5-(2-甲基-1,3-噻唑-4-基)-2-硫苯甲醛
  参考文献：
  名称：

  二氢喹唑啉酮类反向转运过程阻断剂、其制备 方法及用途

  摘要：

  本发明属于医药化工领域，涉及二氢喹唑啉酮类反向转运过程阻断剂、其制备方法及用途。具体地，本发明涉及新的二氢喹唑啉酮类反向转运过程阻断剂类化合物、其可药用盐、其异构体、其水合物或其溶剂合物，以及它们在制备预防和/或急救由核糖体失活蛋白引起的疾病的药物中的用途，以及它们在制备预防和/或治疗由肠道病毒、丝状病毒或多瘤病毒引起的疾病的药物中的用途。本发明的化合物能够有效地对抗II型核糖体失活蛋白中毒和/或由肠道病毒、丝状病毒或多瘤病毒引起的疾病。

  公开号：

  CN110372692B
• 作为产物：
  描述：

  5-乙酰基-噻吩-2-羧酸甲酯 在 lithium aluminium tetrahydride 、 copper(ll) bromide 作用下， 以 四氢呋喃 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.5h， 生成 [5-(2-甲基-1,3-噻唑-4-基)-2-噻吩基]甲醇
  参考文献：
  名称：

  二氢喹唑啉酮类反向转运过程阻断剂、其制备 方法及用途

  摘要：

  本发明属于医药化工领域，涉及二氢喹唑啉酮类反向转运过程阻断剂、其制备方法及用途。具体地，本发明涉及新的二氢喹唑啉酮类反向转运过程阻断剂类化合物、其可药用盐、其异构体、其水合物或其溶剂合物，以及它们在制备预防和/或急救由核糖体失活蛋白引起的疾病的药物中的用途，以及它们在制备预防和/或治疗由肠道病毒、丝状病毒或多瘤病毒引起的疾病的药物中的用途。本发明的化合物能够有效地对抗II型核糖体失活蛋白中毒和/或由肠道病毒、丝状病毒或多瘤病毒引起的疾病。

  公开号：

  CN110372692B

文献信息

• PYRAZOLE COMPOUNDS AND USE THEREOF
  申请人：Takagi Masaki

  公开号：US20090036450A1

  公开（公告）日：2009-02-05

  The pyrazole compound of the present invention is represented by the following general formula (I). The pyrazole compound of the present invention or a salt thereof or a solvate thereof potently inhibits liver glycogen phosphorylase, and, therefore, is useful as a therapeutic or prophylactic agent for diabetes. wherein each symbol denotes as described in the specifications.

  本发明的吡唑化合物由以下一般式（I）表示。本发明的吡唑化合物或其盐或溶剂化物强力抑制肝糖原磷酸化酶，因此，可用作糖尿病的治疗或预防剂。其中，每个符号如规范中所述。
• SUBSTITUTED PYRAZOLE DERIVATIVES
  申请人：ITO Mitsuhiro

  公开号：US20090270359A1

  公开（公告）日：2009-10-29

  The present invention provides a novel pyrazole derivative and an androgen receptor antagonist containing the derivative. The present invention provides a compound represented by the formula (I′) wherein R 1 is a hydrogen atom, a group via a carbon atom, a group via a nitrogen atom, a group via an oxygen atom, or a group via a sulfur atom; R 2 is a phenyl group having cyano (the phenyl group may further have substituent(s) other than cyano); R 3 is a hydrogen atom, a group via a carbon atom, a group via a nitrogen atom, a group via an oxygen atom, or a group via a sulfur atom; R 4 is a cyclic group optionally having substituent(s); and X is methylene optionally having substituent(s), or CO, or a salt thereof.

  本发明提供一种新型吡唑衍生物和含有该衍生物的雄激素受体拮抗剂。本发明提供一种由下式表示的化合物(I′)：其中R1是氢原子、通过碳原子的基团、通过氮原子的基团、通过氧原子的基团或通过硫原子的基团；R2是苯基，带有氰基（苯基可能还有除氰基之外的取代基）；R3是氢原子、通过碳原子的基团、通过氮原子的基团、通过氧原子的基团或通过硫原子的基团；R4是可选地带有取代基的环状基团；X是亚甲基，可选地带有取代基，或CO，或其盐。
• A “universal” catalyst for aerobic oxidations to synthesize (hetero)aromatic aldehydes, ketones, esters, acids, nitriles, and amides
  作者：Thirusangumurugan Senthamarai、Vishwas G. Chandrashekhar、Nils Rockstroh、Jabor Rabeah、Stephan Bartling、Rajenahally V. Jagadeesh、Matthias Beller

  DOI：10.1016/j.chempr.2021.12.001

  日期：2022.2

  compounds are indispensable chemicals widely used in basic and applied sciences. Among these, especially aromatic aldehydes, ketones, carboxylic acids, esters, nitriles, and amides represent valuable fine and bulk chemicals, which are used in chemical, pharmaceutical, agrochemical, and material industries. For their synthesis, catalytic aerobic oxidation of alcohols constitutes a green, sustainable, and cost-effective

  功能化（杂）芳族化合物是基础和应用科学中广泛使用的不可或缺的化学品。其中，尤其是芳香醛、酮、羧酸、酯、腈和酰胺是有价值的精细和大宗化学品，可用于化学、制药、农业化学和材料工业。对于它们的合成，醇的催化有氧氧化构成了一种绿色、可持续且具有成本效益的工艺，理想情况下应该利用活性和选择性的 3D 金属。在这里，我们报告了通过在碳上热解钴-哌嗪-酒石酸络合物作为最通用的氧化催化剂，制备包裹在 Co-纳米颗粒中的石墨层。这种独特的材料可以合成简单、功能化和结构多样的（杂）芳香醛、酮、
• “Double-Click” Protocol for Synthesis of Heterobifunctional Multivalent Ligands: Toward a Focused Library of Specific Norovirus Inhibitors
  作者：Julie Guiard、Brigitte Fiege、Pavel I. Kitov、Thomas Peters、David R. Bundle

  DOI：10.1002/chem.201003414

  日期：2011.6.27

  Click, click, hooray! A convenient “double‐click” protocol for the conjugation of two different ligands to multivalent scaffolds was developed. The protocol involves activation of the second attachment site as an azide for the second click reaction (see scheme). This method was used to synthesize potent inhibitors for norovirus‐like particles.

  单击，单击，万岁！开发了一种方便的“双击”方案，用于将两个不同的配体缀合到多价支架上。该方案涉及激活第二个连接位点，作为第二单击反应的叠氮化物（请参阅方案）。该方法用于合成诺如病毒样颗粒的有效抑制剂。
• SUBSTITUTED PYRAZOLE DERIVATIVE
  申请人：Ito Mitsuhiro

  公开号：US20100227846A1

  公开（公告）日：2010-09-09

  The present invention provides a novel pyrazole derivative and an androgen receptor antagonist containing the derivative. The present invention provides a compound represented by the formula (I′) wherein R 1 is a hydrogen atom, a group via a carbon atom, a group via a nitrogen atom, a group via an oxygen atom, or a group via a sulfur atom; R 2 is a phenyl group having cyano (the phenyl group may further have substituent(s) other than cyano); R 3 is a hydrogen atom, a group via a carbon atom, a group via a nitrogen atom, a group via an oxygen atom, or a group via a sulfur atom; R 4 is a cyclic group optionally having substituent(s); and X is methylene optionally having substituent(s), or CO, or a salt thereof.

  本发明提供了一种新的吡唑衍生物和含有该衍生物的雄激素受体拮抗剂。本发明提供了一种由式(I')表示的化合物，其中R1是氢原子，通过碳原子的基团，通过氮原子的基团，通过氧原子的基团或通过硫原子的基团; R2是具有氰基的苯基（苯基可以进一步具有除氰基以外的取代基）; R3是氢原子，通过碳原子的基团，通过氮原子的基团，通过氧原子的基团或通过硫原子的基团; R4是可选地具有取代基的环状基团; X是可选地具有取代基的亚甲基，或CO，或其盐。