4-Boc-2-羟甲基吗啡啉 | 135065-69-9

• 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-Boc-2-羟甲基吗啡啉
• 中文别名: 4-叔丁氧羰基-2-羟甲基吗啉；4-N-BOC-2-羟甲基吗啉；N-BOC-2-吗啉甲醇；4-Boc-2-吗啉甲醇；N-BOC-2-羟甲基吗啉；4-Boc-2-羟甲基吗啉；4-BOC-2-羟甲基吗啉；N-Boc-2-(羟甲基)吗啉
• 英文名称: tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate
• 英文别名: t-butyl rac-2-hydroxymethyl-4-morpholinecarboxylate
• CAS: 135065-69-9
• 化学式: C₁₀H₁₉NO₄
• mdl: MFCD03426270
• 分子量: 217.265
• InChiKey: FJYBLMJHXRWDAQ-UHFFFAOYSA-N

物化性质

• 沸点：
  320.7±27.0 °C(Predicted)
• 密度：
  1.118±0.06 g/cm3(Predicted)
• 溶解度：
  二氯甲烷、乙醚、乙酸乙酯、

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
Synonyms: 4-N-Boc-2-hydroxymethylmorpholine

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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: tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CAS number: 135065-69-9

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H19NO4
Molecular weight: 217.3

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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.

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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

简介

4-Boc-2-羟甲基吗啡啉是一种医药中间体，可通过两步合成工艺制备得到。有文献报道其可用于制备抑制Bcl-2抗凋亡蛋白活性的化合物。

制备

4-Boc-2-羟甲基吗啡啉可由4-Boc-2-羟甲基吗啡啉为原料，通过两步制备得到。

应用实例

4-Boc-2-羟甲基吗啡啉可用于制备具有特定结构的化合物：2-(1H-吡咯并[2,3-b]吡啶-5-基氧基)-4-(1-((2-(4-氯苯基)-4,4-二甲基环己基-1-烯基)甲基)-1,2,3,6-四氢吡啶-4-基)-N-(4-((4-(2-(二甲基胺)乙酰基)吗啉-2-基)甲基胺)-3-硝基苯磺酰基)苯甲酰胺。该类化合物是一种选择性抑制Bcl-2抗凋亡蛋白活性的化合物，可用于治疗与抗凋亡Bcl-2蛋白表达相关的疾病。

反应信息

• 作为反应物：
  描述：

  4-Boc-2-羟甲基吗啡啉 在 盐酸 、 sodium hydride 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 2-(甲氧基甲基)吗啉
  参考文献：
  名称：

  HPK1 ANTAGONISTS AND USES THEREOF

  摘要：

  本发明提供了化合物、其组合物以及使用这些化合物用于抑制HPK1和治疗HPK1介导的疾病的方法。

  公开号：

  US20210078996A1
• 作为产物：
  描述：

  2-chloromethyl-4-nosylmorpholine 在 丙烷-1-硫醇 、 potassium carbonate 、 sodium hydroxide 、 lithium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 44.0h， 生成 4-Boc-2-羟甲基吗啡啉
  参考文献：
  名称：

  NBS诱导的亲电多组分反应合成瑞波西汀中间体和肉碱乙酰基转移酶抑制剂

  摘要：

  N-溴代琥珀酰亚胺诱导的亲电多组分反应已用于合成瑞波西汀中间体，瑞波西汀中间体是一种高效的选择性去甲肾上腺素再摄取抑制剂。通过简单地改变烯烃伙伴，就可以合成含有2,6,6-三取代吗啉系统的肉碱乙酰基转移酶抑制剂。

  DOI：

  10.1021/jo500609a

文献信息

• IRAK DEGRADERS AND USES THEREOF
  申请人：Kymera Therapeutics, Inc.

  公开号：US20190192668A1

  公开（公告）日：2019-06-27

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• Aromatic amine derivative and use thereof
  申请人：Taniguchi Takahiko

  公开号：US20090325956A1

  公开（公告）日：2009-12-31

  The present invention provides a novel SCD inhibitor. An SCD inhibitor containing a compound represented by the formula [I] wherein ring A is an optionally substituted aromatic ring, ring B is an optionally substituted ring, ring C is an optionally substituted aromatic ring, R is a hydrogen atom, an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, and X is a spacer having 1 to 5 atoms in the main chain, or a salt thereof, or a prodrug thereof.

  本发明提供了一种新型SCD抑制剂。一种包含由下式[I]表示的化合物的SCD抑制剂 其中环A是可选择取代的芳香环，环B是可选择取代的环，环C是可选择取代的芳香环，R是氢原子，可选择取代的碳氢基团或可选择取代的杂环基团，X是具有主链中1到5个原子的间隔物，或其盐，或其前药。
• [EN] IRAK DEGRADERS AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION D'IRAK ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2020264499A1

  公开（公告）日：2020-12-30

  The present invention provides compounds, compositions thereof, and methods of using the same. The compounds include an IRAK binding moiety capable of binding to IRAK4 and a degradation inducing moiety (DIM). The DIM could be DTM a ligase binding moiety (LBM) or lysine mimetic. The compounds could be useful as IRAK protein kinase inhibitors and applied to IRAK mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。这些化合物包括能够结合到IRAK4的IRAK结合基团和诱导降解的基团（DIM）。DIM可以是DTM、一个连接酶结合基团（LBM）或赖氨酸类似物。这些化合物可以作为IRAK蛋白激酶抑制剂，并应用于IRAK介导的疾病。
• P38 inhibitors and methods of use thereof
  申请人：——

  公开号：US20040192653A1

  公开（公告）日：2004-09-30

  This invention relates to inhibitors of p38, and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment and prevention of various disorders mediated by p38.

  这项发明涉及p38的抑制剂，以及生产这些抑制剂的方法。该发明还提供了包括该发明的抑制剂的药物组合物，以及利用这些抑制剂和药物组合物在治疗和预防由p38介导的各种疾病中的方法。
• [EN] 2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS<br/>[FR] DÉRIVÉS DE 2-OXO-THIAZOLE EN TANT QU'INHIBITEURS DE A2A ET COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE CANCERS
  申请人：ITEOS THERAPEUTICS

  公开号：WO2018178338A1

  公开（公告）日：2018-10-04

  The present invention relates to compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof. The invention further relates to the use of the compounds of Formula (I) as A2A inhibitors. The invention also relates to the use of the compounds of Formula (I) for the treatment and/or prevention of cancer. The invention also relates to a process for manufacturing compounds of Formula (I).

  本发明涉及式（I）的化合物或其药用可接受的盐或溶剂化合物。该发明进一步涉及将式（I）的化合物用作A2A抑制剂。该发明还涉及将式（I）的化合物用于治疗和/或预防癌症。该发明还涉及一种制造式（I）化合物的方法。