N-(3-羟基-1-甲基丙基)-氨基甲酸叔丁酯 | 146514-31-0

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-(3-羟基-1-甲基丙基)-氨基甲酸叔丁酯
• 中文别名: N-Boc-3-氨基-1-丁醇
• 英文名称: tert-butyl (4-hydroxybutan-2-yl)carbamate
• 英文别名: tert-butyl N-(4-hydroxybutan-2-yl)carbamate
• CAS: 146514-31-0
• 化学式: C₉H₁₉NO₃
• 分子量: 189.255
• InChiKey: JSZOAOLSEKSNTD-UHFFFAOYSA-N

物化性质

• 沸点：
  301.4±25.0 °C(Predicted)
• 密度：
  1.010±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2924199090
• 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: DL-3-(BOC-Amino)-1-butanol
Synonyms: Carbamic acid, (3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester

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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: DL-3-(BOC-Amino)-1-butanol
CAS number: 146514-31-0

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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, refrigerated.
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: C9H19NO3
Molecular weight: 189.3

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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

反应信息

• 作为反应物：
  描述：

  N-(3-羟基-1-甲基丙基)-氨基甲酸叔丁酯 在 二乙胺基三氟化硫 、 戴斯-马丁氧化剂 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.92h， 生成 diethyl ((4R,6S)-4-methyl-2-oxo-1,3-oxazinan-6-yl)phosphonate
  参考文献：
  名称：

  Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification

  摘要：

  氟代脱基试剂，如DAST和PyFluor，可成功用作选择性修饰γ-氨基-α-羟基膦酸酯的工具。

  DOI：

  10.1039/d2ob00915c
• 作为产物：
  描述：

  BOC-DL-3-氨基乙酸 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 15.5h， 以89%的产率得到N-(3-羟基-1-甲基丙基)-氨基甲酸叔丁酯
  参考文献：
  名称：

  To042 的生物等排修饰：电压门控钠通道有前途的使用依赖性抑制剂的合成和评价

  摘要：

  适当的神经活动：生物等排替代方法允许鉴定一种使用依赖性钠通道阻滞剂 ( 17a )，它具有低 P-糖蛋白介导的跨血脑屏障的主动转运和对 HeLa 细胞的细胞保护作用。通过分子对接研究确定了参与结合 hNav1.4 的目标残基。

  DOI：

  10.1002/cmdc.202100496

文献信息

• NOVEL RUTHENIUM CARBONYL COMPLEX HAVING TRIDENTATE LIGAND, ITS PRODUCTION METHOD AND USE
  申请人：Kuriyama Wataru

  公开号：US20110237814A1

  公开（公告）日：2011-09-29

  The present invention relates to a ruthenium carbonyl complex that is represented by the following Formula (1): RuXY(CO)(L)  (1) (in the Formula (1), X and Y, which may be the same or different from each other, represent an anionic ligand and L represents a tridentate aminodiphosphine ligand which has two phosphino groups and a —NH— group), its production method, and a method for production of alcohols by hydrogenation-reduction of ketones, esters, and lactones using the complex as a catalyst. The ruthenium carbonyl complex of the invention has a high catalytic activity and it can be easily prepared and handled.

  本发明涉及一种由以下化学式（1）表示的钌羰基配合物： RuXY(CO)(L)  (1) （在化学式（1）中，X和Y可以相同也可以不同，代表一个阴离子配体，L代表一个三牙螯合胺二膦配体，具有两个膦基团和一个—NH—基团），以及其制备方法，以及利用该配合物作为催化剂通过酮、酯和内酯的加氢还原生产醇的方法。 本发明的钌羰基配合物具有高催化活性，且易于制备和处理。
• [EN] HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONTENANT UN COEUR INDOLE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011071716A1

  公开（公告）日：2011-06-16

  Disclosed are novel compounds which inhibit RSK, methods of making such compounds and pharmaceutical compositions comprising such compounds. Also disclosed are methods of treating RSK2 regulated disorders using compounds of the invention.

  公开了抑制RSK的新颖化合物，制造此类化合物的方法以及包含此类化合物的药物组合物。还公开了使用本发明的化合物治疗RSK2调控失调的方法。
• [EN] INHIBITORS OF LEUCINE RICH REPEAT KINASE 2<br/>[FR] INHIBITEURS DE LA KINASE 2 À RÉPÉTITION RICHE EN LEUCINE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019012093A1

  公开（公告）日：2019-01-17

  The present invention relates to novel compounds that inhibit LRRK2 kinase activity, to processes for their preparation, to compositions containing them and to their use in the treatment of or prevention of diseases associated with or characterized by LRRK2 kinase activity, for example Parkinson's disease, Alzheimer's disease and amyotrophic lateral sclerosis (ALS).

  本发明涉及抑制LRRK2激酶活性的新化合物，以及它们的制备方法、含有它们的组合物，以及它们在治疗或预防与LRRK2激酶活性相关或以其为特征的疾病中的应用，例如帕金森病、阿尔茨海默病和肌萎缩侧索硬化症（ALS）。
• [EN] BENZIMIDAZOLONE DERIVED INHIBITORS OF BCL6<br/>[FR] INHIBITEURS DE BCL6 DÉRIVÉS DE BENZIMIDAZOLONE
  申请人：CANCER RESEARCH TECH LTD

  公开号：WO2018215801A1

  公开（公告）日：2018-11-29

  The present invention relates to compounds of Formula I that function as inhibitors of BCL6 (B-cell lymphoma 6) activity: wherein X1, X2, R1, R2 and R3 are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which BCL6 activity is implicated.

  本发明涉及作为BCL6（B细胞淋巴瘤6）活性抑制剂的Formula I化合物：其中X1、X2、R1、R2和R3如本文所定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增生性疾病（如癌症）以及BCL6活性有所涉及的其他疾病或病况中的用途。
• [EN] BICYCLIC COMPOUNDS<br/>[FR] COMPOSÉS BICYCLIQUES
  申请人：VIVACE THERAPEUTICS INC

  公开号：WO2020214734A1

  公开（公告）日：2020-10-22

  Provided herein are compounds and pharmaceutical compositions comprising said compounds that are useful for treating cancers. Specific cancers include those that are mediated by YAP/TAZ or those that are modulated by the interaction between YAP/TAZ and TEAD.

  本文提供了包含所述化合物的药物组合物，用于治疗癌症。具体的癌症包括那些由YAP/TAZ介导或由YAP/TAZ与TEAD相互作用调节的癌症。