BOC-1,4-丁二胺盐酸盐 | 33545-98-1

• 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: BOC-1,4-丁二胺盐酸盐
• 中文别名: 4-(叔丁氧羰基氨基)丁胺盐酸盐；4-(叔丁氧羰基氨基)丁胺盐酸；N-boc-1,4-二氨基丁烷盐酸盐；单BOC-丁二胺
• 英文名称: N-Boc-1,4-diaminobutane hydrochloride
• 英文别名: N-Boc-1,4-butanediammonium hydrochloride；tert-Butyl (4-aminobutyl)carbamate hydrochloride；tert-butyl N-(4-aminobutyl)carbamate;hydrochloride
• CAS: 33545-98-1
• 化学式: C₉H₂₀N₂O₂*ClH
• 分子量: 224.731
• InChiKey: GWPFSBFDCMJTSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.46
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  66
• 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：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Boc-1,4-diaminobutane.HCl
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: N-Boc-1,4-diaminobutane.HCl
CAS number: 33545-98-1

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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: C9H20N2O2.ClH
Molecular weight: 224.7

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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

反应信息

• 作为反应物：
  描述：

  BOC-1,4-丁二胺盐酸盐 在 copper(ll) sulfate pentahydrate 、 triflic azide 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 20.0h， 以96%的产率得到(4-叠氮基丁基)氨基甲酸叔丁酯,4-AZIDO-N-BOC-1-BUTANAMINE
  参考文献：
  名称：

  Comparative Studies of Three Pairs of α- and γ-Conjugated Folic Acid Derivatives Labeled with Fluorine-18

  摘要：

  叶酸受体（FR）在各种上皮癌（FR α-异构体）中上调，而在健康组织中只显示有限的表达。因此，使用叶酸放射性药物进行 FR 靶向成像是检测 FR 阳性癌症组织的一种很有前景的方法。几乎所有基于叶酸的放射性药物都是通过在叶酸谷氨酸分子的γ-羧基官能团上进行共轭制备的。在这项工作中，合成了三对氟化α-和γ-共轭叶酸衍生物，并比较了它们的体外和体内特性。采用多步合成方法，包括高选择性的 Cu（I）催化 1,3-二极环化反应，以良好的化学收率合成了所有六种区域异构体。α-和γ-共轭的 18F 标记叶酸衍生物的放射合成具有中等至良好的放射化学收率、较高的放射化学纯度（>95%）和 25 至 196 GBq/μmol 的比活度。在体外，所有叶酸衍生物都显示出与 FR-α 的高结合亲和力（IC50 = 1.4-2.2 nM）。在 FR 阳性 KB 肿瘤小鼠体内进行的 PET 成像和生物分布研究表明，每对化合物的两种区域异构体都有类似的 FR 特异性肿瘤摄取。然而，与相应的γ-区域异构体相比，α-区域异构体对FR-非特异性肝脏摄取量明显较低。相反，肾脏对γ-雷焦异构体的摄取量比对α-雷焦异构体的摄取量低 50%。这些结果表明，叶酸谷酰胺酰基中的共轭部位对 18F 放射性叶酸盐的体内行为有重大影响，但对其体外 FR 结合亲和力没有影响。这些发现有可能为设计新型 18F 标记叶酸类放射性示踪剂提供新的方向。

  DOI：

  10.1021/acs.bioconjchem.5b00644
• 作为产物：
  描述：

  4-氨基-1-丁醇 生成 BOC-1,4-丁二胺盐酸盐
  参考文献：
  名称：

  NOVEL PEPTIDE DERIVATIVES FOR TREATMENT, PREVENTION OR ALLEVIATION OF A CONDITION ASSOCIATED WITH BONE LOSS OR LOW BONE DENSITY OR TO INHIBIT OSTEOCLAST DIFFERENTIATION AND STIMULATION

  摘要：

  可能用于治疗、预防或缓解与骨质流失或骨密度低有关的疾病，或用于抑制成骨吸收细胞分化和刺激、骨质吸收，或人工假体松动的新化合物。

  公开号：

  US20120108515A1

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。
• Mono-Protected Diamines.<i>N</i> ^α-<i>tert</i>-Butoxycarbonyl α,ω-Alkanediamine Hydrochlorides from Amino alcohols
  作者：Phillip G. Mattingly

  DOI：10.1055/s-1990-26879

  日期：——

  N α-tert-Butoxycarbonyl α,ω-alkanediamine hydrochlorides 3a-e are prepared from the amino alcohos in yields of 66-87%. Reaction of the free amine with di-tert-butyl dicarbonate gives the N-tert-Butoxycarbonylamino alcohol 1a-e. One-pot conversion to the azide 2a-e via the mesylate under phase-transfer conditions followed by hydrogenolysis in the presence of chloroform yields the title compounds.

  N-叔丁氧羰基-α,ω-烷二胺盐酸盐3a-e是通过氨基酸醇制备，产率为66-87%。自由胺与二叔丁基二碳酸酯反应生成N-叔丁氧羰氨基醇1a-e。在相转移条件下通过甲磺酸酯一步转化为叠氮化物2a-e，随后在氯仿存在下进行氢解，得到目标化合物。
• Synthesis of novel oleanolic acid and ursolic acid in C-28 position derivatives as potential anticancer agents
  作者：Tian Tian、Xinyu Liu、Eung-Seok Lee、Jingyang Sun、Zhonghua Feng、Longxuan Zhao、Chunhui Zhao

  DOI：10.1007/s12272-016-0868-8

  日期：2017.4

  A series of nitrogen-containing derivatives of oleanolic acid and ursolic acid were prepared by a modification at C-28 position via esterification with 2-hydroxyacetic acid followed by amidation with amines, such as piperazine, N-methylpiperazine, and alkane-1, 2-diamines, alkane-1, 4-diamines, alkane-1, 6-diamines. In vitro antiproliferative activities of the compounds prepared towards MCF-7, Hela

  以哌嗪、N-甲基哌嗪和烷烃-1、2等为基团，先与2-羟基乙酸酯化，再与胺基酰胺化，在C-28位进行修饰，制备了齐墩果酸和熊果酸的一系列含氮衍生物。 -二胺、烷烃-1、4-二胺、烷烃-1、6-二胺。通过 MTT 方法评估制备的化合物对 MCF-7、Hela 和 A549 细胞系的体外抗增殖活性，结果表明 OA-5a、OA-5b、OA-5c 和 UA-5a 对 MCF-的抗增殖活性有所提高。图 7，Hela 和 A549 细胞与阳性对照吉非替尼的比较。
• A Highly Efficient Method for the N-Alkylation of Aminopyrazines: Synthesis of Hydrophilic Red Fluorescent Dyes
  作者：Amruta Poreddy、Bethel Asmelash、William Neumann、Richard Dorshow

  DOI：10.1055/s-0029-1220009

  日期：2010.7

  for the synthesis of N,N′-dialkylated aminopyrazines by a reductive amination route. These new fluorescent pyrazine analogues were shown to absorb and emit light at relatively long wavelengths (˜50 nm) compared to the corresponding diaminopyrazines. The utility of these compounds was demonstrated by the synthesis of hydrophilic fluorescent probes with potential diagnostic applications. GFR - renal function

  开发了一种鲁棒且可扩展的方法，用于通过还原性胺化路线合成N，N'-二烷基化氨基吡嗪。与相应的二氨基吡嗪相比，这些新的荧光吡嗪类似物显示出在相对长的波长（约50nm）处吸收和发射光。这些化合物的实用性通过具有潜在诊断应用的亲水性荧光探针的合成得到证明。 GFR-肾功能-吡嗪-荧光-还原胺化
• PEPTOID-BASED CHELATING LIGANDS FOR SELECTIVE METAL CHELATION
  申请人：Triad National Security, LLC

  公开号：US20200109173A1

  公开（公告）日：2020-04-09

  The present disclosure provides peptoid-based chelating ligands, corresponding cyclic peptoids, and methods of making thereof. Functional groups may be tailored for high metal binding affinity and selectivity. The side chains of a cyclic peptoid according to the present disclosure may be selected based on, for example, high affinity for actinide or other metal ions, selectivity for actinide or other metal ions, the ability to recover a metal once it is bound to the peptoid, and whether the overall peptoid should be hydrophobic or hydrophilic. Unlike siderophores, peptoid-based chelating ligands of the present disclosure are not readily hydrolyzed under physiological conditions. Therefore, peptoid-based chelating ligands may be, for example, used to treat actinide (e.g., iron and lead) poisoning in vivo. Moreover, peptoid-based chelating ligands of the present disclosure may be used for medical imaging, chelation therapy, drug delivery, and separation technologies, for example.

  本公开提供基于肽酰胺的螯合配体、相应的环状肽酰胺及其制备方法。功能基团可以根据高金属结合亲和力和选择性进行定制。根据本公开的环状肽酰胺的侧链可以根据，例如，对锕系元素或其他金属离子的高亲和力、对锕系元素或其他金属离子的选择性、一旦金属与肽酰胺结合后是否能够回收金属，以及整体肽酰胺是疏水性还是亲水性来进行选择。与铁载体不同，本公开的基于肽酰胺的螯合配体在生理条件下不容易水解。因此，基于肽酰胺的螯合配体可以用于治疗体内的锕系元素（例如铁和铅）中毒。此外，本公开的基于肽酰胺的螯合配体可以用于医学成像、螯合疗法、药物输送和分离技术等领域。