2,4-二甲基咪唑 | 930-62-1

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2,4-二甲基咪唑
• 中文别名: 2,4-二甲基-1H-咪唑
• 英文名称: 2,4-Dimethylimidazole
• 英文别名: 2,4-dimethyl-1H-imidazole；2,5-dimethyl-1H-imidazole
• CAS: 930-62-1
• 化学式: C₅H₈N₂
• mdl: MFCD00022365
• 分子量: 96.1319
• InChiKey: LLPKQRMDOFYSGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  85-87 °C
• 沸点：
  266 °C (733 mmHg)
• 密度：
  0.9678 (rough estimate)
• 闪点：
  266°C/733mm
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与强氧化剂和酸直接接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  8
• 安全说明：
  S26,S36/37/39,S45
• 危险品运输编号：
  3263
• 海关编码：
  2933290090
• 危险品标志：
  C
• 危险类别码：
  R22,R34
• RTECS号：
  NI4839712
• 包装等级：
  I; II; III
• 危险类别：
  8
• 危险性防范说明：
  P261,P280,P305+P351+P338,P310
• 危险性描述：
  H302,H314
• 储存条件：
  请将容器密封保存，并存放在阴凉、干燥处。

SDS

Name:	2 4-Dimethylimidazole Tech. 90% Material Safety Data Sheet
Synonym:	None Known
CAS:	930-62-1

Section 1 - Chemical Product MSDS Name:2 4-Dimethylimidazole Tech. 90% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
930-62-1	2,4-Dimethylimidazole, Tech.	90	213-221-4

Hazard Symbols: C
Risk Phrases: 22 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

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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 foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 930-62-1: 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: Chunks
Color: yellow to orange
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 266 deg C @733 mmHg
Freezing/Melting Point: 85 - 87 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: C5H8N2
Molecular Weight: 96.13

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 930-62-1: NI4839712 LD50/LC50:
Not available.
Carcinogenicity:
2,4-Dimethylimidazole, Tech. - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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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: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3263
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3263
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3263
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 22 Harmful if swallowed.
R 34 Causes burns.
Safety Phrases:
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 930-62-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 930-62-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 930-62-1 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：

  2,4-二甲基咪唑 在 palladium on activated charcoal 吡啶 、 硫酸 、 氢气 、 sodium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0~100.0 ℃ 、344.73 kPa 条件下， 生成 6-(2,4-二甲基咪唑-1-基)-8-甲基-1H-喹啉-2-酮
  参考文献：
  名称：

  具有心脏刺激活性的2（1H）-喹啉酮。2.6-（N-连接的五元杂芳基）衍生物的合成和生物学活性。

  摘要：

  合成了一系列6-（N-连接的五元杂芳基）-2（1H）-喹啉酮衍生物，并评估了其强心活性。大多数化合物是通过硫酸催化N-（4-杂芳基苯基）-3-乙氧基丙烯酰胺的环化反应或将2-氨基-5-杂芳基苯甲醛或苯乙酮衍生物与衍生自膦酸三乙酯的内酯缩合制备的。在麻醉的狗中，6-咪唑-1-基-8-甲基-2（1H）-喹啉酮（3； 25微克/ kg）产生的心脏收缩力增加幅度最大（dP / dt max的百分数增加），高于其他6- （五元杂芳基）-取代的类似物（4-8）。将4-甲基（10）或2,4-二甲基（13）取代基引入3的咪唑环可产生明显的正性肌力活性，这些化合物的效力比米力农高约10倍和5倍。口服给药（0.0625-1 mg / kg）后，这些喹啉酮中的大多数也对清醒犬表现出正性肌力作用（QA间隔降低），在许多情况下（3、5-7、9、11、13、16） 1小时和3小时时间点的活动差异很小。化合物13（62

  DOI：

  10.1021/jm00123a011
• 作为产物：
  描述：

  L-(+)-鼠李糖 在 zinc hydroxide 、 氨 作用下， 生成 2,4-二甲基咪唑
  参考文献：
  名称：

  Windaus, Chemische Berichte, 1907, vol. 40, p. 801

  摘要：

  DOI：
• 作为试剂：
  描述：

  甲醇 、 非那西丁 、 溶剂黄146 在 iron (III) meso-tetrakis (2,6-dichlorophenylporphyrin-β-octabromo)chloride 、 2,4-二甲基咪唑 、 间氯过氧苯甲酸 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以36%的产率得到对乙酰氨基酚
  参考文献：
  名称：

  卟啉铁催化对乙酰氨基酚前药的仿生氧化：氮和硫醇盐轴向配体对药物和代谢物形成的影响

  摘要：

  金属卟啉（MP）由于在结构和功能上与氧化酶的血红素辅基相似，因此常用于仿生催化。在这些酶中，卟啉铁主要通过半胱氨酸（细胞色素P450，CYP），组氨酸（过氧化物酶）和酪氨酸（过氧化氢酶）在活性位点与蛋白质结合，作为轴向配体。不同的氧化酶表现出的不同功能性和可变的氧化能力[部分]归因于连接氨基酸以及铁与杂原子之间的关系。通过开发行为类似于CYP酶的MP系统来模仿这种关系的尝试主要集中在掺入氮（N）-杂环。尽管众所周知，不同的酶家族偏爱独特的产物，但硫容易被氧化并易于形成二硫键，因此，硫醇盐大部分尚未开发。在这里，我们报告了我们的发现，这些结果是由间-氯过氧苯甲酸（m -CPBA）通过受不同轴向配体螯合的受阻铁（III）卟啉催化非那西丁，美沙西丁和对乙酰苯胺的仿生氧化而得。9个轴向配体的p K a（2.8-11.2），大小和杂原子身份进行了检查，以更准确地确定影响功能和作用的因素。在大多数情况

  DOI：

  10.1016/j.apcata.2015.11.031

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• [EN] HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF<br/>[FR] MODULATEURS HÉTÉROCYCLIQUES DE LA SYNTHÈSE DES LIPIDES ET COMBINAISONS EN CONTENANT
  申请人：3 V BIOSCIENCES INC

  公开号：WO2015095767A1

  公开（公告）日：2015-06-25

  Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

  提供了杂环调节剂脂质合成以及其药用盐；包括这些化合物的药物组合物；以及通过给予这些化合物和其他治疗剂的组合来治疗脂肪酸合酶途径失调症状的方法。
• [EN] PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS D'ACIDE PYRIDIN-3-YLE ACÉTIQUE UTILISÉS EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK NO 5 LTD

  公开号：WO2018127800A1

  公开（公告）日：2018-07-12

  Disclosed are compounds of Formula I, including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS. (I)

  公开了公式I的化合物，包括药用可接受的盐、包含这些化合物的药物组合物、制备这些化合物的方法，以及它们在抑制HIV整合酶和治疗HIV或艾滋病感染者中的用途。
• [EN] 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS<br/>[FR] DERIVES DE PIPERAZINES 1-ARYL-4-SUSBTITUES UTILISES EN TANT QU'ANTAGONISTES DU CCR1 DANS LE TRAITEMENT DE L'INFLAMMATION ET DES TROUBLES IMMUNITAIRES
  申请人：CHEMOCENTRYX INC

  公开号：WO2003105853A1

  公开（公告）日：2003-12-24

  Compounds are provided that act as potent antagonists of the CCR1 receptor, and which have been further confirmed in animal testing for inflammation, one of the hallmark disease states for CCR1. The compounds are generally aryl piperazine derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR1-mediated diseases, and as controls in assays for the identification of competitive CCR1 antagonists.

  提供了作为CCR1受体强效拮抗剂的化合物，并且已经在动物炎症测试中进一步确认，炎症是CCR1的典型疾病状态之一。这些化合物通常是芳基哌嗪衍生物，在制药组合物、治疗CCR1介导疾病的方法以及用于鉴定竞争性CCR1拮抗剂的检测中具有用途。
• 嘧啶唑醇类化合物及其制备方法和应用
  申请人：西南大学

  公开号：CN110452224B

  公开（公告）日：2022-06-03

  本发明涉及嘧啶唑醇类化合物及其制备方法和应用，属于化学合成技术领域，嘧啶唑醇类化合物如通式I‑II所示，该类化合物对革兰阳性菌、革兰阴性菌和真菌中的一种或多种具有一定抑制活性，可以用于制备抗细菌和/或抗真菌药物，从而为临床抗微生物治疗提供更多高效、安全的候选药物，有助于解决日趋严重的耐药性、顽固的致病性微生物以及新出现的有害微生物等临床治疗问题。其制备原料简单，廉价易得，合成路线短，对抗感染方面的应用具有重要意义。

表征谱图