4-(2-氯乙基)吗啉 | 3240-94-6

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 4-(2-氯乙基)吗啉
• 中文别名: 氯乙基吗啉
• 英文名称: N-(2-chlorethyl)morpholine
• 英文别名: 4-(2-chloroethyl)morpholine；N-(2-chloroethyl)morpholine
• CAS: 3240-94-6
• 化学式: C₆H₁₂ClNO
• mdl: MFCD00603731
• 分子量: 149.62
• InChiKey: ZAPMTSHEXFEPSD-UHFFFAOYSA-N

物化性质

• 沸点：
  94°C/12mmHg(lit.)
• 密度：
  1.0823 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8/6.1
• 海关编码：
  2934999090
• 危险品运输编号：
  UN 3272
• 储存条件：
  库房应保持低温、通风和干燥，并将食品原料与其他物品分开存放。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(2-Chloroethyl)morpholine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(2-Chloroethyl)morpholine
CAS number: 3240-94-6

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H12ClNO
Molecular weight: 149.6

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

类别：有毒物质
毒性分级：高毒
急性毒性：未报告；大鼠 LD50: 70毫克/公斤；吸入-小鼠 LCL0: 370毫克/立方米/10分钟
可燃性危险特性：可燃，火场释放有毒氯化物和氮氧化物烟雾
储运特性：库房低温、通风干燥；与食品原料分开存放
灭火剂：水、二氧化碳、泡沫、沙土

反应信息

• 作为反应物：
  描述：

  4-(2-氯乙基)吗啉 在 sodium acetate 作用下， 生成 6-acetoxy-4,5α-epoxy-17-methyl-3-(2-morpholino-ethoxy)-morphin-6-ene
  参考文献：
  名称：

  Kelentey et al., Arzneimittel-Forschung/Drug Research, 1958, vol. 8, p. 325,326

  摘要：

  DOI：
• 作为产物：
  描述：

  2-吗啉乙醇 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 4-(2-氯乙基)吗啉
  参考文献：
  名称：

  基于黄cut素代谢机制的黄cut素衍生物的设计，合成及生物学评价

  摘要：

  根据黄rin苷（1）在体内的代谢机理，设计和合成了3个系列的黄re苷衍生物。通过凝血酶原时间（PT），活化的部分凝血活酶时间（APTT），凝血酶时间（TT）和纤维蛋白原（FIB）的分析测试了它们的凝血酶抑制活性。这些目标产物的抗氧化活性通过1,1-二苯基-2-吡啶并肼基自由基（DPPH）测定进行了评估，并具有保护PC12细胞免受H 2 O 2诱导的细胞毒性的能力，并通过紫外线（UV）评估了它们的溶解度。分光光度计。结果表明，两个异丙基取代衍生物（18c）与黄cut苷（2）相比，显示出更强的抗凝活性，更好的水溶性和良好的抗氧化活性，因此有必要进一步开发18c作为治疗缺血性脑血管疾病的有希望的药物。

  DOI：

  10.1111/cbdd.12727
• 作为试剂：
  描述：

  2-(2-methoxyethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinolin-7-ol 在 caesium carbonate 、 4-(2-氯乙基)吗啉 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 23.5h， 生成 2-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinoline
  参考文献：
  名称：

  WO2007/75468

  摘要：

  公开号：

文献信息

• [EN] SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS AS KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIDAZINECARBOXAMIDE SUBSTITUÉS UTILES EN TANT QUE COMPOSÉS INHIBITEURS DE KINASE
  申请人：XCOVERY INC

  公开号：WO2009154769A1

  公开（公告）日：2009-12-23

  Pyridazine derivatives have unexpected drug properties as inhibitors of protein kinases and are useful in treating disorders related to abnormal protein kinase activities such as cancer.

  吡啶并呋嗪衍生物作为蛋白激酶抑制剂具有意想不到的药物特性，并可用于治疗与异常蛋白激酶活性相关的疾病，如癌症。
• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON
  申请人：CENTAURUS BIOPHARMA CO LTD

  公开号：WO2014082598A1

  公开（公告）日：2014-06-05

  The invention provides novel poly-substituted 5-membered heterocyclic compounds represented by Formula (IV), or a pharmaceutically acceptable salt, solvate, metabolites, polymorph, ester, tautomer or prodrug thereof, and a composition comprising these compounds. The compounds provided can be used as selective irreversible bruton's tyrosine kinase (Btk) inhibitors and is further useful to treat inflammatory, auto immune diseases associated with aberrant B-cell proliferation such as RA (rheumatoid arthritis) and cancers. This invention also provided the preparation of a medicament using of Formula (IV), and methods of preventing or treating diseases associated with excessive Btk activity in mammals, especially humans. Formula (IV)

  该发明提供了由化学式（IV）表示的新型多取代的5-成员杂环化合物，或其药学上可接受的盐、溶剂化合物、代谢物、多形体、酯、互变异构体或前药，以及包含这些化合物的组合物。所提供的化合物可用作选择性不可逆的布鲁顿酪氨酸激酶（Btk）抑制剂，并且进一步用于治疗与异常B细胞增殖相关的炎症、自身免疫疾病，如类风湿关节炎（RA）和癌症。该发明还提供了利用化学式（IV）制备药物的方法，以及预防或治疗与哺乳动物，尤其是人类中Btk活性过高相关的疾病的方法。 化学式（IV）
• Preparation andIn Vitro Pharmacology of 5-HT4 Receptor Ligands. Partial Agonism and Antagonism of Metoclopramide Analogous Benzoic Esters
  作者：Sigurd Elz、Andreas Keller

  DOI：10.1002/ardp.19953280705

  日期：——

  functional in vitro assays with regard to affinity for serotoninergic 5‐HT4, 5‐HT3 and muscarinic M3 receptors. The affinities for 5‐HT4 and M3 receptors were below 6.0 (pKB or pA2). On 5‐HT4 receptors in guinea‐pig ileal longitudinal muscle and rat oesophagus, the majority of compounds revealed partial 5‐HT4 receptor agonism susceptible to blockade by SDZ 205557, a reference 5‐HT4 receptor antagonist

  胃促动力苯甲酰胺甲氧氯普胺 (1) 的脂环酯类似物及其酯同源物 SDZ 205557 (2)，一种 5-HT4 受体拮抗剂，通过 4-氨基-5-氯-2-甲氧基苯甲酸酯与 N-( 2-氯乙基）取代的脂环胺。化合物13b的溴和碘类似物（2-（1-哌啶基）乙基4-氨基-5-氯-2-甲氧基苯甲酸酯）通过脱氯-13b与N-卤代琥珀酰亚胺的卤化得到。在功能性体外试验中评估了该系列对 5-羟色胺能 5-HT4、5-HT3 和毒蕈碱 M3 受体的亲和力。5-HT4 和 M3 受体的亲和力低于 6.0（pKB 或 pA2）。在豚鼠回肠纵肌和大鼠食管中的 5-HT4 受体上，大多数化合物显示出部分 5-HT4 受体激动作用，容易被 SDZ 205557 阻断，参考 5-HT4 受体拮抗剂（pKb = 7.25 - 7.73（豚鼠回肠）和 7.09 - 7.43（大鼠食道））。相对激动剂效力在 5-303% (5-HT:
• [EN] PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLOTRIAZINONE EN TANT QU'INHIBITEURS DES PI3K
  申请人：ALMIRALL SA

  公开号：WO2014060432A1

  公开（公告）日：2014-04-24

  New pyrrolotriazinone derivatives having the chemical structure of formula (I), are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Phosphoinositide 3-Kinases (PI3Ks)

  新的吡咯三唑酮衍生物具有化学结构式（I），公开；以及它们的制备方法，包括它们的药物组合物和它们作为磷脂酰肌醇3-激酶（PI3Ks）抑制剂在治疗中的应用。
• LTA4H modulators and uses thereof
  申请人：Barchuk William T.

  公开号：US20080194630A1

  公开（公告）日：2008-08-14

  Leukotriene A4 hydrolase (LTA4H) inhibitors, compositions containing them, and methods of use for the inhibition of LTA4H enzyme activity and the treatment, prevention or inhibition of inflammation and/or conditions associated with inflammation.

  白三烯A4水解酶（LTA4H）抑制剂，含有它们的组合物，以及用于抑制LTA4H酶活性和治疗、预防或抑制炎症和/或与炎症相关疾病的方法。