N-(8-溴辛基)邻苯二甲酰亚胺 | 17702-83-9

• 物质功能分类: 化学试剂 - 有机试剂 - 酰亚胺
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: N-(8-溴辛基)邻苯二甲酰亚胺
• 英文名称: N-8-bromooctylphthalimide
• 英文别名: 2-(8-bromooctyl)isoindoline-1,3-dione；2-(8-bromooctyl)isoindole-1,3-dione；N-(8-Bromooctyl)phthalimide
• CAS: 17702-83-9
• 化学式: C₁₆H₂₀BrNO₂
• mdl: MFCD00060523
• 分子量: 338.244
• InChiKey: LAMUQORCSIHVMC-UHFFFAOYSA-N

物化性质

• 熔点：
  49-56 °C
• 沸点：
  429.7±28.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 海关编码：
  2925190090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存于阴凉干燥处。

SDS

Name:	N-(8-Bromooctyl)phthalimide Material Safety Data Sheet
Synonym:	None
CAS:	17702-83-9

Section 1 - Chemical Product MSDS Name:N-(8-Bromooctyl)phthalimide Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17702-83-9	N-(8-Bromooctyl)phthalimide	>93	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin. The toxicological properties of this material have not been fully investigated. No data found on whether or not this chemical would be likely to cause an allergic skin reaction.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust.
Storage:
Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Store protected from light.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17702-83-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white to light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 50-55 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C16H20BrNO2
Molecular Weight: 338.24

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Light, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17702-83-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-(8-Bromooctyl)phthalimide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 17702-83-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17702-83-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17702-83-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-(8-溴辛基)邻苯二甲酰亚胺 在 hydrazine hydrate 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.33h， 生成 N1-cyclohexyl-N1-(3-morpholinopropyl)octane-1,8-diamine
  参考文献：
  名称：

  [EN] PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE
  [FR] DÉRIVÉS DE PYRIDINYLE UTILISÉS EN TANT QU'INHIBITEURS DE L'ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFÉRASE

  摘要：

  本申请公开了一种化合物，其化学式为（I），其中Q是可选择取代的吡啶基；p为0-6；Y是式（i）、（ii）和（iii），其中X为=O、=S和=N-CN，r为1-12，R为-Z-A，Z为单键，-S(=O)2-，>P=O，>C=O，-C(=O)NH-和-C(=S)NH-；A为氢、C1-12-烷基、C3-12-环烷基、-[CH2CH2O]1-10-(C1-6-烷基)、C1-12-烯基、芳基、杂环烷基和杂芳基；B为单键，-NRN-，-S(=O)2-和-O-；其中RN从氢、C1-12-烷基、C3-12-环烷基、-[CH2CH2O]1-10-(C1-6-烷基)、C1-12-烯基、芳基、杂环烷基和杂芳基中选择；s为0-6；Cy为芳基、环烷基、杂环烷基和杂芳基。这些化合物可用作治疗由烟酰胺磷酸核糖转移酶（NAMPRT）水平升高引起的疾病或症状的药物。

  公开号：

  WO2010142735A1
• 作为产物：
  描述：

  8-溴-1-辛醇 在 四溴化碳 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 2.5h， 生成 N-(8-溴辛基)邻苯二甲酰亚胺
  参考文献：
  名称：

  [EN] PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE
  [FR] DÉRIVÉS DE PYRIDINYLE UTILISÉS EN TANT QU'INHIBITEURS DE L'ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFÉRASE

  摘要：

  本申请公开了一种化合物，其化学式为（I），其中Q是可选择取代的吡啶基；p为0-6；Y是式（i）、（ii）和（iii），其中X为=O、=S和=N-CN，r为1-12，R为-Z-A，Z为单键，-S(=O)2-，>P=O，>C=O，-C(=O)NH-和-C(=S)NH-；A为氢、C1-12-烷基、C3-12-环烷基、-[CH2CH2O]1-10-(C1-6-烷基)、C1-12-烯基、芳基、杂环烷基和杂芳基；B为单键，-NRN-，-S(=O)2-和-O-；其中RN从氢、C1-12-烷基、C3-12-环烷基、-[CH2CH2O]1-10-(C1-6-烷基)、C1-12-烯基、芳基、杂环烷基和杂芳基中选择；s为0-6；Cy为芳基、环烷基、杂环烷基和杂芳基。这些化合物可用作治疗由烟酰胺磷酸核糖转移酶（NAMPRT）水平升高引起的疾病或症状的药物。

  公开号：

  WO2010142735A1

文献信息

• SYNTHESIS OF BIVALENT ORGANOPHOSPHORUS COMPOUNDS AS ACETYLCHOLINESTERASE INHIBITORS
  作者：Guoquan Yang、Qianfei Zhao、Yonghong Li、Huizhu Yuan、Xiangdong Mei、Jun Ning

  DOI：10.1080/00304940809458115

  日期：2008.10

  Glu199, Asp-276 and the hydrophobic residues lining the entrance gorge of AChE? through binding to both catalytic and peripheral sites of the enzyme, a new series of dual binding site AChE inhibitors have been designed and synthesized.1° The cluster effect, combined with information about the structure of acetylcholinesterase, led us to design and synthesize some bivalent organphosphorus compounds as

  据报道，在生物系统中，多价结合提供了相应的单价相互作用无法实现的广泛益处。] Lee 等人描述了多价相互作用的经典例子之一，称为“集群效应” .2 一些多价药物分子的活性因它们的簇效应而显着增强。3.~ Pang 等人。报道了高效、选择性、低成本的双功能乙酰胆碱酯酶（AChE）抑制剂：由于簇效应已应用于药物设计，我们认为该理论假设可以作为发现新农用化学品的参考和指导。有机磷化合物作为经典的乙酰胆碱酯酶 (AChEi) 抑制剂。' 昆虫独特的毒理学为有机磷杀虫剂提供了安全机制，杀虫神经毒物的选择性归因于结合亚位点（乙酰胆碱酯酶）的结构差异？基于 ACE 活性位点峡谷的几何形状，在其两个末端有特定位点，Glu199、Asp-276 和 AChE 入口峡谷内衬的疏水残基？通过与酶的催化位点和外周位点结合，设计并合成了一系列新的双结合位点 AChE 抑制剂。 1° 集群效应结合乙酰胆碱酯酶的结构信
• [EN] AZITHROMYCIN DERIVATIVES CONTAINING A PHOSPHONIUM ION AS ANTICANCER AGENTS<br/>[FR] DÉRIVÉS D'AZITHROMYCINE CONTENANT UN ION PHOSPHONIUM UTILISÉS EN TANT QU'AGENTS ANTICANCÉREUX
  申请人：NOVINTUM BIOTECHNOLOGY GMBH

  公开号：WO2018193117A1

  公开（公告）日：2018-10-25

  This invention relates to compounds that are useful as cancer therapies. The compounds comprise azithromycin derivatives having a phosphonium cation tethered to the azithromycin macrocycle. The invention also relates to methods of using said compounds and to pharmaceutical formulations comprising said compounds. The compounds comprise an ion of formula (I): wherein either Z1 is and Z2 is R4b; or Z2 is and Z1 is R2b.

  本发明涉及作为癌症治疗有用的化合物。这些化合物包括带有磷正离子与阿奇霉素大环相连的阿奇霉素衍生物。该发明还涉及使用所述化合物的方法以及包含所述化合物的药物制剂。这些化合物包括公式（I）的离子：其中Z1是且Z2是R4b；或者Z2是且Z1是R2b。
• 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia
  申请人：——

  公开号：US06214877B1

  公开（公告）日：2001-04-10

  This invention provides compounds of Formula I having the structure wherein: B, C, D, and R1 are as defined hereinbefore in the specification, or a pharmaceutically acceptable salt thereof, which are useful in treating metabolic disorders related to insulin resistance or hyperglycemia.

  这项发明提供了具有结构的化合物，其中： B、C、D 和 R1 如前述说明中定义的，或其药学上可接受的盐，可用于治疗与胰岛素抵抗或高血糖相关的代谢紊乱。
• Thromboxane synthetase inhibitors and antihypertensive agents. 1. N-[(1H-imidazol-1-yl)alkyl]aryl amides and N-[(1H-1,2,4-triazol-1-yl)alkyl]aryl amides
  作者：William B. Wright、Jeffery B. Press、Peter S. Chan、Joseph W. Marsico、Margie F. Haug、Judy Lucas、Jess Tauber、Andrew S. Tomcufcik

  DOI：10.1021/jm00154a017

  日期：1986.4

  formation. The most interesting thromboxane synthetase inhibitors prepared were 4-chloro-, 4-(trifluoromethyl)-, and 4-bromobenzamide derivatives of (1H-imidazol-1-yl)alkylamines with C5-C8 alkyl chains separating the heterocycle from the amide moiety, while the most active antihypertensive agents were 3- or 4-chloro-, -bromo, or -(trifluoromethyl)benzamides with C3 alkyl chains. The best thromboxane

  制备标题化合物以研究其作为血栓烷合成酶抑制剂以及降压药的潜力。制备咪唑VIII和三唑X以检查芳族取代，链长和杂环取代对生物活性的影响。咪唑VIII和三唑X是不抑制前列环素形成的血栓烷合成酶抑制剂。制备的最有趣的血栓烷合成酶抑制剂是（1H-咪唑-1-基）烷基胺的4-氯-，4-（三氟甲基）-和4-溴苯甲酰胺衍生物，其C5-C8烷基链将杂环与酰胺部分分开，而最具活性的降压药是带有C3烷基链的3-或4-氯-，-溴或-（三氟甲基）苯甲酰胺。
• Redox-active Magnetic Resonance Imaging Contrast Agents: Studies with Thiol-bearing 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetracetic Acid Derivatives
  作者：Bhumasamudram Jagadish、Gerald P. Guntle、Dezheng Zhao、Vijay Gokhale、Tarik J. Ozumerzifon、Ali M. Ahad、Eugene A. Mash、Natarajan Raghunand

  DOI：10.1021/jm300736f

  日期：2012.12.13

  The synthesis and structure–activity relationships of a homologous series of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid gadolinium(III) complexes bearing thiol-terminated alkyl side chains from three to nine carbons in length are reported. The observed binding with human serum albumin (HSA) of the compounds having C-3 through C-7 side chain lengths was inhibited by homocysteine in a manner

  具有三到九个碳的硫醇封端烷基侧链的同源系列 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸钆 (III) 配合物的合成和构效关系报告长度。观察到的具有 C-3 至 C-7 侧链长度的化合物与人血清白蛋白 (HSA) 的结合被同型半胱氨酸以与单位点结合一致的方式抑制。观察到的具有 C-8 和 C-9 侧链长度的化合物与 HSA 的结合仅部分被同型半胱氨酸抑制，与多位点结合一致。C-7 化合物的结合亲和力可能与 HSA 氧化态有关。二维1 H– 1H NMR TOCSY 提供了 C-6 化合物的铕类似物与 HSA-Cys 34共价结合的证据。钆复合物在 7 T 时的纵向水-质子 MRI 弛豫度在与 HSA 结合后增加。基于这些结果，C-6 和 C-7 化合物被确定为有前途的氧化还原敏感 MRI 造影剂。

表征谱图