1-(2-溴乙氧基)-3-硝基苯 | 13831-59-9

• 物质功能分类: 化学试剂 - 有机试剂 - 硝基化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-溴乙氧基)-3-硝基苯
• 英文名称: 2-(3-nitrophenoxy)bromoethane
• 英文别名: 1-(2-bromoethoxy)-3-nitrobenzene；1-(m-nitrophenoxy)-2-bromoethane；AN1135；(2-bromo-ethyl)-(3-nitro-phenyl)-ether；(2-Brom-aethyl)-(3-nitro-phenyl)-aether；(β-Brom-aethyl)-(3-nitro-phenyl)-aether
• CAS: 13831-59-9
• 化学式: C₈H₈BrNO₃
• mdl: MFCD07783648
• 分子量: 246.06
• InChiKey: QBUSKXLDUNPEMZ-UHFFFAOYSA-N

物化性质

• 熔点：
  39 °C
• 沸点：
  140-145 °C (2 mmHg)
• 密度：
  1.587±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2909309090
• 危险类别：
  IRRITANT
• 储存条件：
  存储于阴凉干燥处。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(2-Bromoethoxy)-3-nitrobenzene
Synonyms: 2-(3-Nitrophenoxy)ethyl bromide,

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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: 1-(2-Bromoethoxy)-3-nitrobenzene
CAS number: 13831-59-9

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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.
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: C8H8BrNO3
Molecular weight: 246.1

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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 bromide.

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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：

  1-(2-溴乙氧基)-3-硝基苯 在 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 甲醇 、 水 、 1,2-二氯乙烷 、 乙腈 为溶剂， 生成 tert-butyl O-(tert-butyl)-N-methyl-N-(2-(3-nitrophenoxy)ethyl)-L-serinate
  参考文献：
  名称：

  WO2008/155421

  摘要：

  公开号：
• 作为产物：
  描述：

  间硝基苯酚 在 potassium carbonate 作用下， 以 1,2-二溴乙烷 、 丙酮 为溶剂， 反应 12.0h， 生成 1-(2-溴乙氧基)-3-硝基苯
  参考文献：
  名称：

  [EN] TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS
  [FR] TRAITEMENT DE CANCERS ENTRAÎNÉS PAR MYC AVEC DES AGENTS DE DÉGRADATION GSPT1

  摘要：

  本公开涉及新的方法来预测癌症患者对GSPT1负调节剂的反应性，从而通过确定患者样本中一个或多个生物标志物的水平来确定GSPT1负调节剂治疗癌症患者的有效性。本公开还涉及这些方法的应用，包括分层癌症恶性程度，特别是识别驱动肿瘤的myc，从而为这些癌症患者设计优化和个性化的治疗方案，以及优化选择患者人群进行相应的临床试验。

  公开号：

  WO2022152822A1

文献信息

• [EN] COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH<br/>[FR] COMPOSÉS MODULANT L'ACTIVITÉ DES RÉCEPTEURS EGFR ET MÉTHODES POUR TRAITER OU PRÉVENIR DES TROUBLES À L'AIDE DE CEUX-CI
  申请人：GATEKEEPER PHARMACEUTICALS INC

  公开号：WO2011140338A1

  公开（公告）日：2011-11-10

  Provided are compounds and methods for treating or preventing kinase-mediated disorders therewith.

  提供了用于治疗或预防激酶介导的疾病的化合物和方法。
• MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
  申请人：Combs Andrew Paul

  公开号：US20090286778A1

  公开（公告）日：2009-11-19

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及以下化学式I的大环化合物： 或其药用可接受盐或季铵盐，其中所述成员在此提供，并且它们的组成物和使用方法，这些JAK/ALK抑制剂在治疗JAK/ALK相关疾病中有用，例如炎症和自身免疫性疾病以及癌症。
• [EN] PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS<br/>[FR] DERIVES DE PIPERAZINE CONVENANT POUR LE TRAITEMENT DE TROUBLES GASTRO-INTESTINAUX
  申请人：GLAXO GROUP LTD

  公开号：WO2006010629A1

  公开（公告）日：2006-02-02

  The invention provides compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein Ra, Rb, Rc, Rd, Re, Rf and Y are as defined in the specification. The compounds are partial or full agonists at the growth hormone secretagogue (GHS) receptors . Pharmaceutical compositions comprising the compounds, methods of preparing the compounds, uses of the compounds and methods involving the compounds are also provided.

  这项发明提供了式（I）的化合物或其药用盐，其中Ra、Rb、Rc、Rd、Re、Rf和Y如规范中所定义。这些化合物是生长激素分泌素（GHS）受体的部分或全激动剂。还提供了包括这些化合物的药物组合物、制备这些化合物的方法、这些化合物的用途以及涉及这些化合物的方法。
• Photoinduced intramolecular substitution-III photocyclization of ω-anilinoalkyl m-nitrophenyl ethers
  作者：Klyoshi Mutai、Keiji Kobayashi、Kenji Yokoyama

  DOI：10.1016/s0040-4020(01)91127-5

  日期：1984.1

  1-(2-methoxy-5-nitrophenoxy) analogs induced intramolecular cyclization in which a hydrogen or methoxyl group at the para position with respect to the nitro group is replaced. Although the replacement of the meta Ar-O bond attached to the polymethylene chain was expected by the analogy with intermolecular photosubstitution, no such product was detected. Several reaction features and laser flash study suggests

  辐射1-（间硝基苯氧基）-ω-苯胺基烷烃，mO 2 NC 6 H 4 O（CH 2）n NHPh（n = 2和3）及其1-（2-甲氧基-5-硝基苯氧基）类似物诱导的分子内环化，其中相对于硝基的对位上的氢或甲氧基被取代。尽管通过与分子间光吸收的类比，预期取代了连接至多亚甲基链的间位Ar-O键，但未检测到这种产物。一些反应特征和激光闪光研究表明，通过光致电子转移机制形成的自由基对在反应的初始阶段参与。
• [EN] AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS<br/>[FR] COMPOSÉS ARYLE OU HÉTÉROARYLE À SUBSTITUTION AMINE UTILISÉS COMME INHIBITEURS DE EHMT1 ET EHMT2
  申请人：EPIZYME INC

  公开号：WO2017181177A1

  公开（公告）日：2017-10-19

  The present disclosure relates to amine-substituted aryl or heteroaryl compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., sickle cell anemia) via inhibition of a methyltransferase enzyme selected from EHMT1 and EHMT2, by administering an amine-substituted aryl or heteroaryl compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开涉及氨基取代的芳基或杂芳基化合物。本公开还涉及包含这些化合物的药物组合物，以及通过向需要治疗的受试者施用本公开的氨基取代的芳基或杂芳基化合物或其药物组合物，来治疗疾病（例如，镰状细胞性贫血）的方法，该方法通过抑制从EHMT1和EHMT2选择的甲基转移酶酶。本公开还涉及将此类化合物用于研究或其他非治疗目的。