2,6-二溴苯甲醚 | 38603-09-7

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,6-二溴苯甲醚
• 中文别名: 1,3-二溴-2-甲氧基苯
• 英文名称: 2,6-dibromoanisole
• 英文别名: 1,3-dibromo-2-methoxybenzene；2,6-Dibrom-anisol
• CAS: 38603-09-7
• 化学式: C₇H₆Br₂O
• 分子量: 265.932
• InChiKey: BMZVDHQOAJUZJL-UHFFFAOYSA-N

物化性质

• 熔点：
  13°C
• 沸点：
  254℃
• 密度：
  1.823
• 闪点：
  100℃
• 保留指数：
  1351

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2,6-Dibromoanisole
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 2,6-Dibromoanisole
CAS number: 38603-09-7

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C7H6Br2O
Molecular weight: 265.9

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen bromide.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,6-二溴苯甲醚 在 水 、 异丙基氯化镁 作用下， 生成 2-溴苯甲醚
  参考文献：
  名称：

  Metal-halogen exchange between polybromoanisoles and aliphatic Grignard reagents: a synthesis of cyclopenta[b]benzofurans

  摘要：

  DOI：

  10.1021/jo00027a078
• 作为产物：
  描述：

  3,5-二溴-4-甲氧基苯胺 在 乙醇 、 硫酸 、 sodium nitrite 作用下， 生成 2,6-二溴苯甲醚
  参考文献：
  名称：

  Shishkin, V. N.; Tanaseichuk, B. S.; Lapin, K. K., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 2357 - 2366

  摘要：

  DOI：

文献信息

• HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME
  申请人：LG CHEM, LTD.

  公开号：US20210139469A1

  公开（公告）日：2021-05-13

  A novel heterocyclic compound of Chemical Formula 1 and an organic light emitting device including the same. wherein one of Ar 1 to Ar 3 is of the following Chemical Formula 2, and one of Ar 4 to Ar 7 is a substituted or unsubstituted dibenzofuran; or a substituted or unsubstituted dibenzothiophene, the rest being hydrogen.

  化学式1的新型杂环化合物及包括该化合物的有机发光器件。 其中Ar1至Ar3中的一个为以下化学式2， Ar4至Ar7中的一个为取代或未取代的二苯并呋喃；或取代或未取代的二苯并噻吩，其余为氢。
• STRAIGHTFORWARD ENTRY TO 7-AZABICYCLO[2.2.1]HEPTANE-1-CARBONITRILES AND SUBSEQUENT SYNTHESIS OF EPIBATIDINE ANALOGUES
  申请人：STEVENS Christian

  公开号：US20090275616A1

  公开（公告）日：2009-11-05

  The present invention relates to a group of substituted-7-azabicyclo-[2.2.1]heptyl derivatives with biological activity. The present invention also relates to synthetic methods for producing said substituted-7-azabicyclo-[2.2.1]heptyl derivatives. The present invention also relates to certain intermediates for producing such substituted-7-azabicyclo-[2.2.1]heptyl derivatives, as well as a synthetic method for producing such intermediates. The present invention also relates to pharmaceutical compositions comprising such substituted-7-azabicyclo-[2.2.1]heptyl derivatives, as well as their use as medicaments for the treatment of diseases mediated by a Nicotinic Acetylcholine Receptor or a receptor being a member of the Neurotransmitter-gated Ion Channel Superfamily, such as pain, Alzheimer's disease, Parkinson's disease, schizophrenia, epilepsy and nicotine addiction.

  本发明涉及一组具有生物活性的取代-7-氮杂双环[2.2.1]庚基衍生物。本发明还涉及用于制备所述取代-7-氮杂双环[2.2.1]庚基衍生物的合成方法。本发明还涉及用于制备此类取代-7-氮杂双环[2.2.1]庚基衍生物的某些中间体，以及用于制备此类中间体的合成方法。本发明还涉及包含此类取代-7-氮杂双环[2.2.1]庚基衍生物的药物组合物，以及它们作为治疗由尼古丁乙酰胆碱受体或神经递质门控离子通道超家族成员介导的疾病的药物的用途，如疼痛、阿尔茨海默病、帕金森病、精神分裂症、癫痫和尼古丁成瘾。
• [EN] CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN<br/>[FR] CHLOROTHIOPHÈNE-AMIDES UTILISÉS COMME INHIBITEURS DES FACTEURS DE COAGULATION XA ET DE LA THROMBINE
  申请人：SANOFI AVENTIS

  公开号：WO2009103440A1

  公开（公告）日：2009-08-27

  The present invention relates to compounds of the formula I wherein R1; R2; R3; R4; R5, R13, R16, X and M have the meanings indicated in the claims. The compounds of formula I are valuable pharmacologically active compounds. They exhibit a strong anti-thrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and thrombin and can in general be applied in conditions in which an undesired activity of factor Xa and/or thrombin are present or for the cure or prevention of which an inhibition of factor Xa and thrombin are intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及具有式I的化合物，其中R1; R2; R3; R4; R5, R13, R16, X和M具有权利要求中所指示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强大的抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞疾病或再狭窄。它们是血液凝块酶因子Xa（FXa）和凝血酶的可逆抑制剂，通常可应用于存在因子Xa和/或凝血酶不良活性的情况，或者用于治疗或预防需要抑制因子Xa和凝血酶的情况。此外，本发明还涉及制备式I化合物的方法，它们的用途，特别是作为药物中的活性成分，以及包含它们的药物制剂。
• 5-치환 인데노플루오렌닐 유도체 유기 화합물 및 이를 포함하는 유기 전계 발광 소자
  申请人：CMDL Co.,Ltd. (주)씨엠디엘(120170170502) Corp. No ▼ 161511-0210660BRN ▼171-81-00621

  公开号：KR20190084511A

  公开（公告）日：2019-07-17

  하기 화학식 a로 표시되는 5-치환 인데노플루오렌닐 유도체 유기화합물이 제공된다. 003c#화학식 a003e# 상기 식에서, R, R, R, R 및 Ar 은 전술하여 정의된 바와 같다.

  提供一种以化学式a表示的5-取代吲哚呋喃基衍生物有机化合物。在上述式中，R、R、R、R和Ar如上所述被定义。
• Design, synthesis, and biological evaluation of 1-methyl-1H-pyrazolo[4,3-b]pyridine derivatives as novel small-molecule inhibitors targeting the PD-1/PD-L1 interaction
  作者：Xinyan Dai、Ke Wang、Hao Chen、Xupeng Huang、Zhiqiang Feng

  DOI：10.1016/j.bioorg.2021.105034

  日期：2021.9

  3-b]pyridine derivatives as PD-1/PD-L1 interaction novel small-molecule inhibitors were designed employing a ring fusion strategy. The inhibitory activity of compounds was evaluated by the HTRF assay, among which D38 was identified as the most potent PD-1/PD-L1 interaction inhibitor with an IC50 value of 9.6 nM. Furthermore, D38 exhibited prominent inhibitory activity against the PD-1/PD-L1 interaction with

  阻断程序性细胞死亡-1（PD-1）/程序性细胞死亡-配体1（PD-L1）信号通路是一种很有前景的肿瘤免疫治疗方法，小分子药物在临床应用中比单克隆抗体大分子更具优势。因此，采用环融合策略设计了一系列1-甲基-1H-吡唑并[ 4,3-b ]吡啶衍生物作为PD-1/PD-L1相互作用的新型小分子抑制剂。通过HTRF测定评估化合物的抑制活性，其中D38被鉴定为最有效的PD-1/PD-L1相互作用抑制剂，IC 50值为9.6 nM。此外，D38对 PD-1/PD-L1 与 EC 相互作用表现出显着的抑制活性。在表达 PD-L1/TCR 激活剂的 CHO 细胞和表达 PD-1 的 Jurkat 细胞的共培养模型中，50值为 1.61 μM。此外，阐明了化合物的初步构效关系（SARs），并通过分子对接分析了D38与PD-L1二聚体的结合模式。总体而言，D38可用作 PD-1/PD-L1 相互作用抑制剂的前瞻性先导化合物，用于进一步开发。