5-(N-叔丁氧羰基氨基)-1-戊醇 | 75178-90-4

• 物质功能分类: 生物化工 - 生化试剂 - 氨基酸
• 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: 5-(N-叔丁氧羰基氨基)-1-戊醇
• 中文别名: N-Boc-5-氨基戊醇；TERT-BUTYLN-(5-羟基苯基)氨基甲酸叔丁酯；5-(叔丁氧羰氨基)-1-戊醇；5-(叔丁氧羰基-氨基)-1-戊醇；5-(Boc-氨基)-1-戊醇；N-(5-羟基戊基)氨基甲酸叔丁酯；(5-羟基戊基)氨基甲酸叔丁酯；5-(BOC-氨基)-1-戊醇
• 英文名称: 5-(tert-butoxycarbonyl)amino-1-pentanol
• 英文别名: N-(tert-butyloxycarbonyl)-5-aminopentanol；tert-butyl (5-hydroxypentyl)carbamate；tert-butyl N-(5-hydroxypentyl)carbamate；tert‐butyl (5‐hydroxypentyl)carbamate；5-(Boc-amino)-1-pentanol
• CAS: 75178-90-4
• 化学式: C₁₀H₂₁NO₃
• 分子量: 203.282
• InChiKey: DDGNGFVNTZJMMZ-UHFFFAOYSA-N

物化性质

• 沸点：
  318.4±25.0 °C(Predicted)
• 密度：
  1.00 g/mL at 20 °C(lit.)
• 闪点：
  >109°C
• 溶解度：
  可溶于氯仿、二氯甲烷、乙酸乙酯、甲醇
• 稳定性/保质期：

  请远离氧化物、水分以及潮湿环境。

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S23,S24/25
• WGK Germany：
  3
• 海关编码：
  2924199090
• 危险性防范说明：
  P264,P270,P301+P312,P330
• 危险性描述：
  H302
• 储存条件：
  应将存放在充有干燥惰性气体的容器中，并置于阴凉、干燥处。避免接触湿气和水分。请远离氧化剂及水源。如有条件，建议冷藏保存。

SDS

5-(tert-Butoxycarbonylamino)-1-pentanol Revision number: 1
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: 5-(tert-Butoxycarbonylamino)-1-pentanol

Revision number: 1

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS Not classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
None
Pictograms or hazard symbols
Signal word No signal word
None
Hazard statement
Precautionary statements None

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Component(s): 5-(tert-Butoxycarbonylamino)-1-pentanol
Percent: >97.0%(GC)
CAS Number: 75178-90-4
Synonyms: N-Boc-5-aminopentanol , tert-Butyl N-(5-Hydroxypentyl)carbamate , N-(5-
Hydroxypentyl)carbamic Acid tert-Butyl Ester
Chemical Formula: C10H21NO3

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Extinguishing media not to Solid streams of water
be used:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
5-(tert-Butoxycarbonylamino)-1-pentanol

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Section 5. FIRE-FIGHTING MEASURES
Specific methods: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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Section 7. HANDLING AND STORAGE
Handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
Use a ventilation, local exhaust if vapor or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Keep container tightly closed. Store in a cool and dark place.
Storage conditions:
Store away from incompatible materials such as oxidizing agents.
Law is followed.
Packaging material:

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: clear
Color: Colorless - Almost colorless
Odor: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling Point/Range: No data available
Flash Point: No data available
Explosive limits
Lower: No data available
Upper: No data available
Density: 1.01
Solubility: No data available

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
No special reactivity has been reported.
Reactivity:
Incompartible materials: oxidizing agents
5-(tert-Butoxycarbonylamino)-1-pentanol

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Section 10. STABILITY AND REACTIVITY
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
Products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobillity in soil
log Pow: No data available
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
Not Listed
UN-No:

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.
5-(tert-Butoxycarbonylamino)-1-pentanol

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

5-(N-叔丁氧羰基氨基)-1-戊醇可以作为有机合成中间体和医药中间体，在实验室研发和化工生产过程中具有广泛应用。

反应信息

• 作为反应物：
  描述：

  5-(N-叔丁氧羰基氨基)-1-戊醇 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 5-(T-boc-氨基)-1-戊基溴
  参考文献：
  名称：

  双重烟酰胺磷酸核糖基转移酶和表皮生长因子受体抑制剂治疗癌症

  摘要：

  在现代抗癌治疗中，多靶点药物已成为一种有前途的治疗方式。利用NAMPT和EGFR抑制的协同作用，我们开发了首个可用作NAMPT和EGFR双重抑制剂的化合物。在CHS828和厄洛替尼的基础上，通过药效基团的合并，成功设计并合成了一系列杂交分子。在合成的化合物中，化合物28表现出良好的NAMPT和EGFR抑制作用，并具有出色的体外抗增殖活性。化合物28是不含Michael受体的新型化学型，可强烈抑制几种癌细胞系的增殖，包括具有EGFR L858R / T790M的H1975非小细胞肺癌细胞突变。更重要的是，它在人NSCLC（H1975）异种移植裸鼠模型中具有显着的体内抗肿瘤功效。这项研究为开发新型抗肿瘤药物和有价值的药理探针提供了有希望的线索，这些药物可用于评估单一抑制剂对NAMPT和EGFR途径的双重抑制作用。

  DOI：

  10.1016/j.ejmech.2020.113022
• 作为产物：
  描述：

  1-Boc-2-哌啶酮 在 Cp*RuCl{(C6H5)2P-(CH2)2NH2-κ2-P,N} 、 potassium tert-butylate 、 氢气 作用下， 以 叔丁醇 为溶剂， 80.0 ℃ 、3.0 MPa 条件下， 反应 24.0h， 以99%的产率得到5-(N-叔丁氧羰基氨基)-1-戊醇
  参考文献：
  名称：

  双官能[Cp * Ru（PN）]配合物催化的N-酰基氨基甲酸酯和N-酰基磺酰胺的加氢反应

  摘要：

  Cp 1的唤醒：双功能配合物1促进了与具有比酮，环氧化物和酰亚胺少的亲电子碳原子的底物的相互作用。该标题反应适用于将埃文斯的不对称烷基化产物还原为手性醇，以及良好的手性恶唑烷酮助剂的回收率。EWG =吸电子基团。

  DOI：

  10.1002/anie.200805307
• 作为试剂：
  描述：

  5-氨基-1-戊醇 、 二碳酸二叔丁酯 在 ice 、 氯仿 、 碳酸氢钠 、 水 、 magnesium sulfate 、 5-(N-叔丁氧羰基氨基)-1-戊醇 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 5-(N-叔丁氧羰基氨基)-1-戊醇
  参考文献：
  名称：

  MICROPHASE-SEPARATED STRUCTURE MEMBRANE AND PROCESS FOR PRODUCING THE SAME

  摘要：

  提供的是一种微相分离结构膜，其中包括一种嵌段共聚物，其中一种亲水性聚合物组分和一种疏水性聚合物组分通过具有反应性基团、电子受体或电子给体或染料的结构单元相互耦合。在微相分离结构膜中，由亲水性聚合物组分组成的圆柱体结构位于由疏水性聚合物组分组成的基质中，并且沿垂直于膜表面的方向定向，具有反应性基团、电子受体或电子给体或染料的结构单元位于基质和圆柱体结构之间。

  公开号：

  US20100210742A1

文献信息

• 1-Amino 1H-imidazoquinolines
  申请人：Griesgraber W. George

  公开号：US20050054640A1

  公开（公告）日：2005-03-10

  1-Amino 1H-imidazoquinoline compounds, pharmaceutical compositions containing the compounds, intermediates, and methods of making and methods of use of these compounds as immunomodulators, for modulating cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases are disclosed.

  1-氨基1H-咪唑喹啉化合物，含有该化合物的药物组合物，中间体，以及制备这些化合物的方法和将这些化合物用作免疫调节剂的方法，用于调节动物体内细胞因子生物合成，并用于治疗包括病毒性和肿瘤性疾病在内的疾病。
• 一种用于治疗肿瘤的黄酮衍生物及其应用
  申请人：四川福生源科技有限公司

  公开号：CN111620920A

  公开（公告）日：2020-09-04

  本发明提供了式I代表的黄酮衍生物及其药学上可接受的盐、水合物或溶剂合物。式I中，R1为H、C1‑4烷基、氨基、或C1‑4酰基；R2为异戌烯基或2位羟基异戌基；R3为H、甲基或氘代甲基；R4代表C1‑4烷基、氨基、C1‑4酰基或R5代表单糖残基或寡糖残基；L代表多肽、C1‑C20直链烷基或其衍生物、C1‑C20直链或支链酰基衍生物、C1‑C20乙二醇或其衍生物、其中Y为a为0‑100的整数，b为1‑100的整数，c为1‑10的整数，d为0‑100的整数，e为0‑100的整数。本发明的黄酮衍生物具有高效广谱的抗癌活性。
• 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。
• [EN] MACROCYCLIC COMPOUNDS FOR MODULATING IL-17<br/>[FR] COMPOSÉS MACROCYCLIQUES POUR UNE MODULATION D'IL-17
  申请人：ENSEMBLE THERAPEUTICS CORP

  公开号：WO2013116682A1

  公开（公告）日：2013-08-08

  The invention relates generally to macrocyclic compounds of formula I and their therapeutic use. More particularly, the invention relates to macrocyclic compounds that modulate the activity of IL-17 and/or are useful in the treatment of medical conditions, such as inflammatory diseases and other IL-17-associated disorders.

  这项发明通常涉及公式I的大环化合物及其治疗用途。更具体地，该发明涉及调节IL-17活性的大环化合物，或者用于治疗炎症性疾病和其他与IL-17相关的疾病的大环化合物。
• [EN] TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS<br/>[FR] TÉTRAHYDROPYRIDOPYRIMIDINES ET TÉTRAHYDROPYRIDOPYRIDINES COMME INHIBITEURS D'AG HBS (ANTIGÈNE DE SURFACE DU VIRUS DE L'HÉPATITE B) ET PRODUCTION D'ADN DE VHB POUR LE TRAITEMENT D'INFECTIONS PAR LE VIRUS DE L'HÉPATITE B
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016177655A1

  公开（公告）日：2016-11-10

  The present invention provides tetrahydropyridopyrimidines and tetrahydropyridopyridines having the general formula (I) wherein R1, R2, U, W, X, Y and Z are as described herein, as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment and prophylaxis of hepatitis B virus infections.

  本发明提供了具有一般式(I)的四氢吡啶嘧啶和四氢吡啶吡啶，其中R1、R2、U、W、X、Y和Z如本文所述，作为乙型肝炎病毒表面抗原（HBsAg）和HBV DNA的抑制剂，用于治疗和预防乙型肝炎病毒感染。

表征谱图