5-氟-2-甲基苯肼盐酸盐 | 325-50-8

• 物质功能分类: 有机原料 - 肼或胲的有机衍生物
• 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: 5-氟-2-甲基苯肼盐酸盐
• 中文别名: 5-氟-2-甲基苯肼.盐酸盐
• 英文名称: (5-fluoro-2-methylphenyl)hydrazine hydrochloride
• 英文别名: 5-Fluoro-2-methylphenylhydrazine hydrochloride；(5-fluoro-2-methylphenyl)hydrazine;hydrochloride
• CAS: 325-50-8
• 化学式: C₇H₉FN₂*ClH
• mdl: MFCD00053032
• 分子量: 176.621
• InChiKey: JJGFAXYGLYUHIN-UHFFFAOYSA-N

物化性质

• 熔点：
  197°C (dec.)

计算性质

• 辛醇/水分配系数(LogP)：
  2.02
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  39.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/22,R36/37/38
• 海关编码：
  2928000090
• 包装等级：
  II
• 危险品运输编号：
  2811
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P301+P310,P305+P351+P338
• 危险性描述：
  H301,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Fluoro-2-methylphenylhydrazine, HCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Fluoro-2-methylphenylhydrazine, HCl
CAS number: 325-50-8

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H9FN2.ClH
Molecular weight: 176.6

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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：

  5-氟-2-甲基苯肼盐酸盐 在 硫酸 、 水 、 对甲苯磺酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 甲苯 为溶剂， 反应 26.0h， 生成 4-氟-7-甲基-1H-吲哚-2-羧酸
  参考文献：
  名称：

  [EN] SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES
  [FR] INHIBITEURS DE SETD2 ET PROCÉDÉS ET UTILISATIONS ASSOCIÉS, Y COMPRIS DES POLYTHÉRAPIES

  摘要：

  本公开提供SETD2蛋白抑制剂，以及用于治疗患有SETD2蛋白抑制剂的主体的疾病、紊乱或状况的方法、组合物和试剂盒，可选地，第二治疗剂包括一个或多个糖皮质激素受体激动剂、一个或多个免疫调节药物、一个或多个蛋白酶体抑制剂、一个或多个Bcl-2抑制剂、一个或多个多效通路调节剂、一个或多个XPO1抑制剂、一个或多个组蛋白去乙酰化酶抑制剂，或一个或多个EZH2抑制剂，或其组合。

  公开号：

  WO2021168313A1
• 作为产物：
  描述：

  5-氟-2-甲基苯胺 在 盐酸 、 sodium nitrite 、 tin(ll) chloride 作用下， 以 水 为溶剂， 反应 3.0h， 以72%的产率得到5-氟-2-甲基苯肼盐酸盐
  参考文献：
  名称：

  THIAZOLIDINONE COMPOUNDS AND USE THEREOF

  摘要：

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。

  公开号：

  US20170253569A1

文献信息

• 5-Membered heterocyclic compound
  申请人：Nishida Haruyuki

  公开号：US20090156642A1

  公开（公告）日：2009-06-18

  The present invention provides 5-membered heterocycle compounds represented by the following general formula (I): The present compounds have a superior acid secretion inhibitory effect, and shows an antiulcer activity and the like.

  本发明提供了以下通式(I)表示的5元杂环化合物： 本化合物具有优异的抑制胃酸分泌效果，并显示出抗溃疡活性等。
• [DE] PI3-KINASEN<br/>[EN] PI3 KINASES<br/>[FR] PI3-KINASES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2006040279A1

  公开（公告）日：2006-04-20

  Es werden neue Verbindungen der Formel (1) bereitgestellt, die aufgrund ihrer pharmazeutischen Wirksamkeit als PI3-Kinase Modulator zur Anwendung auf therapeutischem Gebiet zur Behandlung von entzündlichen oder allergischen Erkrankungen gelangen können. Beispielhaft seien hier entzündliche und allergische Atemwegserkrankungen, entzündliche Erkrankungen des Magen-Darm-Traktes und des Bewegungsapparates, entzündliche und allergische Hauterkrankungen, entzündliche Augenerkrankungen, Erkrankungen der Nasenschleimhaut, entzündliche oder allergische Krankheitszustände, bei denen Autoimmun-Reaktionen beteiligt sind oder Nierenentzündungen genannt.

  提供公式（1）的新颖化合物，由于其药理活性可作为PI3激酶调节剂应用于治疗领域，用于治疗炎性疾病或过敏性疾病。例如，这里可以列举的包括炎性和过敏性呼吸道疾病、炎性疾病、胃肠道的运动系统、炎性和过敏性皮肤病、炎性疾病、鼻粘膜疾病、炎症或过敏性疾病，其中涉及自身免疫反应或肾盂肾炎。
• THERAPEUTIC AGENTS 414
  申请人：BENNETT Stuart Norman Lile

  公开号：US20100093757A1

  公开（公告）日：2010-04-15

  A compound of Formula (I): is useful in the treatment or prevention of a disease or medical condition mediated through glucokinase (GLK or GK), leading to a decreased glucose threshold for insulin secretion.

  化合物Formula (I)在通过葡萄糖激酶（GLK或GK）介导的疾病或医疗状况的治疗或预防中很有用，导致胰岛素分泌的葡萄糖阈值降低。
• Rhodium(III)-Catalyzed CH Activation and Indole Synthesis With Hydrazone as an Auto-Formed and Auto-Cleavable Directing Group
  作者：Liyao Zheng、Ruimao Hua

  DOI：10.1002/chem.201304302

  日期：2014.2.17

  An efficient, practical, and external‐oxidant‐free indole synthesis from readily available aryl hydrazines was developed, by using hydrazone as a directing group for RhIII‐catalyzed CH activation and alkyne annulation. The hydrazone group was formed by in situ condensation of hydrazines and CO source, whereas its NN bond was served as an internal oxidant, for which we termed it as an auto‐formed

  通过使用as作为Rh III催化的CH活化和炔烃环化反应的导向基团，开发了一种有效，实用且无外部氧化剂的吲哚合成方法。腙基通过在肼和CO源的就地缩合形成，而其N  N键送达作为内部氧化剂，对此我们称之为它作为一个自动形成和自动裂解的定向基团（DG自动） 。该方法无需任何步骤即可进行导向组的预安装和后裂解，这使其成为一种非常容易扩展的方法，可以以较高的步骤经济性来获得不受保护的吲哚。DG汽车该策略也适用于异喹啉合成。此外，还证明了该化学方法可用于快速组装π扩展的氮掺杂多杂环化合物和生物活性分子。
• 1-芳基-5-羟基吡唑的制备方法
  申请人：湖南海利常德农药化工有限公司

  公开号：CN104059020B

  公开（公告）日：2016-08-31

  本发明公开了一种采用芳基肼或芳基肼的盐酸盐与甲氧基丙烯酸甲酯在溶剂中反应制备1‑芳基‑5‑羟基吡唑的方法。化学反应式如下：本发明提供的1‑芳基‑5‑羟基吡唑的制备方法，工艺简单、反应步骤少，易操作，产品收率＞50％，远高于现有技术，原料来源广泛，适合工业化生产。