2-氯-6-氟硝基苯 | 64182-61-2

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟硝基苯系列
• 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: 2-氯-6-氟硝基苯
• 中文别名: 2-氟-6-氯硝基苯；1-Chloro-3-fluoro-2-nitrobenzene
• 英文名称: 1-chloro-3-fluoro-2-nitrobenzene
• 英文别名: 2-chloro-6-fluoronitrobenzene
• CAS: 64182-61-2
• 化学式: C₆H₃ClFNO₂
• mdl: MFCD06658264
• 分子量: 175.547
• InChiKey: GOIUPLBHNRTTIO-UHFFFAOYSA-N

物化性质

• 沸点：
  245.1±20.0 °C(Predicted)
• 密度：
  1.494±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2904909090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-6-fluoronitrobenzene
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: 2-Chloro-6-fluoronitrobenzene
CAS number: 64182-61-2

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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: C6H3ClFNO2
Molecular weight: 175.5

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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, hydrogen fluoride.

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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：

  2-氯-6-氟硝基苯 在 盐酸 、 甲醇 、 氯化铵 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 锌 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成
  参考文献：
  名称：

  [EN] SPIROCYCLIC CONTAINING COMPOUNDS AND PHARMACEUTICAL USES THEREOF
  [FR] COMPOSÉS CONTENANT DES SPIROCYCLIQUES ET LEURS UTILISATIONS PHARMACEUTIQUES

  摘要：

  本发明涉及一种新型的共价激酶抑制剂家族，该类化合物已发现对TEC激酶家族的成员，特别是ITK和/或TXK，BTK，TEC和/或其组合具有抑制活性。本发明涉及一种具有I式结构的化合物或其药学上可接受的盐、溶剂、盐的溶剂体、立体异构体、互变异构体、同位素、前药、复合物或其生物活性代谢物，用于治疗。

  公开号：

  WO2018032104A1
• 作为产物：
  描述：

  2-氯-6-氟苯胺 在 tetrafluoroboric acid 、 sodium nitrite 、 铜 作用下， 反应 1.5h， 以44%的产率得到2-氯-6-氟硝基苯
  参考文献：
  名称：

  设计，合成，SAR和生物学评估的AP-6型高效苯并咪唑间隔的膦酰基-α-氨基酸竞争性NMDA拮抗剂。

  摘要：

  合成了一系列2-氨基-（膦酰基烷基）-1H-苯并咪唑-2-链烷酸，并使用[3H] CPP结合试验评估了NMDA受体的亲和力。NMDA受体复合物的功能拮抗作用在体外使用刺激的[3H] TCP结合测定进行评估，在体内通过使用NMDA诱导的癫痫发作模型进行评估。AP-6类型的几种化合物在体外和体内均表现出有效和选择性的NMDA拮抗活性。尤其是[R（-）]-2-氨基-3-（5-氯-1-膦酰基甲基-1H-苯并咪唑-2-基）-丙酸（1）在2001年的IC（50）值为7.1 nM。在NMDA杀伤力模型中，[3H] CPP结合测定和ED（50）值为0.13 mg / kg（ip）。在永久性阻塞大鼠大脑中动脉后，以3毫克/千克的单次推注剂量静脉内施用化合物1，使梗塞的脑组织体积减少了45％。这些结果支持化合物1作为神经保护剂的有希望的治疗潜力。

  DOI：

  10.1021/jm000385w
• 作为试剂：
  描述：

  2-氯-6-氟硝基苯 、 (3S,4aS,6S,8aR)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid 在 2-氯-6-氟硝基苯 作用下， 以79的产率得到
  参考文献：
  名称：

  EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS

  摘要：

  本发明提供了公式（I）和公式（I（a））的新化合物，或其药学上可接受的盐；治疗神经系统疾病和神经退行性疾病的方法，特别是治疗疼痛和偏头痛，包括给予公式（I）或公式（I（a））的化合物；以及制备公式（I）或公式（I（a））化合物的过程。

  公开号：

  US20100094014A1

文献信息

• Discovery of Novel Small Molecule Dual Inhibitors Targeting Toll-Like Receptors <b>7</b> and <b>8</b>
  作者：Rosaura Padilla-Salinas、Rachel Anderson、Kentaro Sakaniwa、Shuting Zhang、Patrick Nordeen、Chuanjun Lu、Toshiyuki Shimizu、Hang Yin

  DOI：10.1021/acs.jmedchem.9b01201

  日期：2019.11.27

  TLR7/8 dual inhibitor (1) and a TLR8-specific inhibitor (2) based on our previous screen targeting TLR8. Compound 1, bearing a benzanilide scaffold, was found to inhibit TLR7 and TLR8 at low micromolar concentrations. We envisioned making modifications on the benzanilide scaffold of 1 resulting in a class of highly specific TLR7 inhibitors. Our efforts led to the discovery of a new TLR8 inhibitor (CU-115)

  内体通行费样受体（TLR）7和8识别病毒单链RNA，一类咪唑并喹啉化合物，8-氧代腺苷，8-氨基苯并二氮杂卓，嘧啶和鸟苷类似物。目前有大量证据表明，TLR7特异性介导的慢性炎症与自身免疫进程有关。基于我们先前针对TLR8的筛选，我们确定了一种新的TLR7 / 8双重抑制剂（1）和TLR8特异性抑制剂（2）。发现带有苯甲酰苯胺支架的化合物1在低微摩尔浓度下抑制TLR7和TLR8。我们设想对1的苯甲酰苯胺支架进行修改产生一类高度特异性的TLR7抑制剂。我们的努力导致发现了新的TLR8抑制剂（CU-115），并鉴定了带有独特的二苯醚骨架的TLR7 / 8双重抑制剂（CU-72），具有优化TLR7选择性的潜力。鉴于TLR8在自身免疫中的作用，我们还优化了2的效价并开发了带有1,3,4-恶二唑基序的新型TLR8抑制剂。
• 一种取代硝基苯类化合物的制备方法
  申请人：联化科技股份有限公司

  公开号：CN109467509B

  公开（公告）日：2021-09-24

  本发明公开了一种取代硝基苯类化合物的制备方法。该方法包括下述步骤：溶剂中，在150℃～250℃的温度下，化合物II在碱的作用下进行如下所示的脱羧反应得到化合物I即可；所述的碱为碱金属的碳酸盐和碳酸氢盐中的一种或多种。该方法相比一些使用金属催化的脱羧方法，具有操作简单、生产成本低、后处理方便、收率高的优点，在工业化生产中更具有应用价值。
• [EN] 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE ET DE 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE UTILISÉS EN TANT QU'INHIBITEURS D'HISTONE ACÉTYLTRANSFÉRASE DE C-MYC ET P300/CBP POUR LE TRAITEMENT DU CANCER
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019049061A1

  公开（公告）日：2019-03-14

  The invention is directed to substituted 5-(1H-benzo[d]imidazo-2-yl)- pyridin-2-amine and 5-(3H-imidazo[4,5-b]pyridin-6-yl)-pyridin-2-amine derivatives. Specifically, the invention is directed to compounds according to Formula (lb) wherein R', R2', R3', R4', Rs', R6', R7', and X1' are as defined herein; or a salt thereof including a pharmaceutically acceptable salt thereof. The compounds of the invention decrease MYC protein (c-MYC) in cells and/or inhibit p300/CBP histone acetyltransferase and can be useful in the treatment of cardiac hypertrophy, diabetes, obesity & nonalcoholic fatty liver disease, HIV, polycystic kidney disease, inflammatory diseases, ankylosing spondylitis, psoriasis, psoriatic arthritis, rheumatoid arthritis, Crohn's disease, multiple sclerosis, cancer and pre-cancerous syndromes, and diseases associated with dysregulation of Myc or inhibition of p300/CBP histone acetyltransferase. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention still further discloses methods of reducing MYC protein (c-MYC) in cells and inhibiting p300/CBP histone acetyltransferase activity, and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代的5-(1H-苯并[d]咪唑-2-基)-吡啶-2-胺和5-(3H-咪唑[4,5-b]吡啶-6-基)-吡啶-2-胺衍生物。具体而言，本发明涉及根据公式(lb)的化合物，其中R'、R2'、R3'、R4'、Rs'、R6'、R7'和X1'按本说明书中定义；或其盐，包括药用可接受的盐。本发明的化合物能够降低细胞中的MYC蛋白（c-MYC）和/或抑制p300/CBP组蛋白乙酰转移酶，可用于治疗心肌肥大、糖尿病、肥胖和非酒精性脂肪肝疾病、HIV、多囊肾疾病、炎症性疾病、强直性脊柱炎、银屑病、银屑病关节炎、类风湿性关节炎、克罗恩病、多发性硬化症、癌症和前癌症综合症，以及与Myc失调或p300/CBP组蛋白乙酰转移酶抑制相关的疾病。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步公开了使用本发明的化合物或包含本发明化合物的药物组合物，降低细胞中MYC蛋白（c-MYC）和抑制p300/CBP组蛋白乙酰转移酶活性的方法，以及治疗与之相关的疾病的方法。
• [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009062289A1

  公开（公告）日：2009-05-22

  Compounds of formula I : wherein c, R2, R3, R4, R5, R6, R7 and R8 are defined herein, are useful as inhibitors of HIV replication.

  公式I的化合物：其中c、R2、R3、R4、R5、R6、R7和R8按本说明定义，可用作HIV复制的抑制剂。
• Ultrasound Promoted ‘One Pot’ Conversion of Nitrocompounds to Carbamates
  作者：S. Chandrasekhar、Ch. Narsihmulu、V. Jagadeshwar

  DOI：10.1055/s-2002-25338

  日期：——

  An efficient ultrasound promoted novel direct conversion of nitro compounds to N-(tert-butoxycarbonyl) amines and N-(ethoxycarbonylamines) is achieved using Sn-NH4Cl for the first time.

  首次利用Sn-NH4Cl实现了高效的促进超声波作用下，将硝基化合物直接转化为N-(叔丁氧羰基)胺及N-(乙氧羰基胺)的新颖直接转换过程。