4-甲基-1,3-恶唑-5-甲醇 | 45515-23-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-甲基-1,3-恶唑-5-甲醇
• 中文别名: 4-甲基恶唑-5-甲醇
• 英文名称: (4-methyloxazol-5-yl)methanol
• 英文别名: 4-Methyloxazole-5-methanol；(4-methyl-1,3-oxazol-5-yl)methanol
• CAS: 45515-23-9
• 化学式: C₅H₇NO₂
• mdl: MFCD06200857
• 分子量: 113.116
• InChiKey: RMNSUMDMIHSPIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934999090

SDS

Name:	4-Methyloxazole-5-methanol Material Safety Data Sheet
Synonym:	None Known
CAS:	45515-23-9

Section 1 - Chemical Product MSDS Name:4-Methyloxazole-5-methanol Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
45515-23-9	4-Methyloxazole-5-methanol	97+%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under argon.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 45515-23-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 53 - 55 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: C5H7NO2
Molecular Weight: 113.12

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides, strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 45515-23-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methyloxazole-5-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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 45515-23-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 45515-23-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 45515-23-9 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：

  4-甲基-1,3-恶唑-5-甲醇 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 生成 4-甲基恶唑-5-甲醛
  参考文献：
  名称：

  恶唑基和呋喃基取代的咪唑盐酸盐和甲硫醇的合成

  摘要：

  通过在碱性介质中，将甲苯磺酰基甲基异氰化物的偶极环加成到相应的恶唑基和呋喃基醛亚胺上，通过偶极环加成两个环系统来合成恶唑基-5-和呋喃基-2-取代的咪唑。然后将以这种方式获得的这些取代的恶唑基和呋喃基咪唑碱分别经受氯化氢气体和甲基碘的作用，分别形成相应的盐酸盐和甲基碘化物。纯化所有化合物，鉴定其特征，然后测试毒蕈碱结合亲和力。生物学测试结果显示毒蕈碱受体亲和力和选择性低。

  DOI：

  10.1002/jhet.5570350413
• 作为产物：
  描述：

  4-甲基-5-恶唑甲酸甲酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 4-甲基-1,3-恶唑-5-甲醇
  参考文献：
  名称：

  [EN] MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS
  [FR] PYRRAZOLES FUSIONNÉS MACROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE MCL-1

  摘要：

  提供由化学式IA表示的化合物，以及其在药学上可接受的盐和溶剂化合物，其中R、R 1a、R 1b、L 1、L 2、L 3、X、A、B和C的定义如规范中所述。还提供了化学式IA的化合物，用于治疗对Mcl-1抑制敏感的疾病或紊乱，如癌症。

  公开号：

  WO2020151738A1

文献信息

• IMIDAZOPYRIDINE COMPOUNDS
  申请人：Iwata Hidehisa

  公开号：US20100069431A1

  公开（公告）日：2010-03-18

  Compounds, pharmaceutical compositions, kits and methods are provided for use with glucokinase that comprise a compound selected from the group consisting of formula (I) wherein the variables are as defined herein.

  提供了用于与葡萄糖激酶一起使用的化合物、药物组合物、试剂盒和方法，其中包括从以下公式(I)所述的组中选择的化合物，其中变量如本文所定义。
• 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。
• Compounds and methods of use
  申请人：Tango Therapeutics, Inc.

  公开号：US11077101B1

  公开（公告）日：2021-08-03

  Compounds are provided according to Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein X1, X2, X3, X4, Y, A, L1, L2, R1, R2, R5, m and n are as defined herein. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of conditions.

  根据以下公式（I）提供化合物： 及其药学上可接受的盐，以及其药物组合物；其中X1、X2、X3、X4、Y、A、L1、L2、R1、R2、R5、m和n如本文所定义。本发明的化合物被认为对预防和治疗各种疾病条件有用。
• Versatile Photochemical Reactivity of Diverse Substituted 2-, 4- and 5-(<i>o</i> -Vinylstyryl)oxazoles
  作者：Ivana Šagud、Marija Šindler-Kulyk、Dragana Vojnović-Jandrić、Željko Marinić

  DOI：10.1002/ejoc.201701551

  日期：2018.1.31

  To study the effects of the position of the hexatrienyl moiety on the oxazole ring, targeted substituted cis/trans‐2/4/5‐(2‐vinylstyryl)oxazoles have been synthesized and irradiated. These new vinylstyryl‐2/4/5‐oxazole derivatives showed diverse photochemical behavior and gave new functionalized oxazole and oxazoline polycyclic products.

  为研究六三烯基部分在恶唑环上的位置的影响，已合成并辐照了目标取代的顺式/反式-2 / 4 / 5-（2-乙烯基苯乙烯基）恶唑。这些新的乙烯基苯乙烯基-2-4 / 5-恶唑衍生物显示出多种光化学行为，并提供了新的官能化恶唑和恶唑啉多环产物。
• [EN] HETEROCYCLIC GLP-1 AGONISTS<br/>[FR] AGONISTES HÉTÉROCYCLIQUES DE GLP-1
  申请人：GASHERBRUM BIO INC

  公开号：WO2022028572A1

  公开（公告）日：2022-02-10

  This disclosure relates to GLP-1 agonists of Formula (I), including pharmaceutically acceptable salts and solvates thereof, and pharmaceutical compositions including the same.

  这项披露涉及到Formula (I)的GLP-1激动剂，包括其药用可接受的盐和溶剂化合物，以及包括这些化合物的药物组合物。