2-溴-3-氟-6-甲基吡啶 | 374633-36-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-溴-3-氟-6-甲基吡啶
• 中文别名: 2-甲基-3-氟-6-溴吡啶
• 英文名称: 2-bromo-3-fluoro-6-methylpyridine
• CAS: 374633-36-0
• 化学式: C₆H₅BrFN
• 分子量: 190.015
• InChiKey: KKVUMKHUMBXLMH-UHFFFAOYSA-N

物化性质

• 沸点：
  185.6±35.0 °C(Predicted)
• 密度：
  1.592±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-Bromo-3-Fluoro-6-Picoline
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn Harmful R22
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 190,01 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-Bromo-3-Fluoro-6-Picoline
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
2-Bromo-3-Fluoro-6-Picoline
Xn, R22 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
H302 Harmful if swallowed.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

2-溴-3-氟-6-甲基吡啶主要用于有机合成和作为农药中间体。

反应信息

• 作为反应物：
  描述：

  2-溴-3-氟-6-甲基吡啶 在 potassium permanganate 、 硫酸 作用下， 以 水 为溶剂， 反应 55.0h， 生成 6-溴-5- 氟吡啶-2-羧酸甲酯
  参考文献：
  名称：

  噁唑嘧啶酮酰胺类化合物或其可药用盐，制备方法及用途

  摘要：

  本发明公开了一种噁唑嘧啶酮酰胺类化合物或其可药用盐，其制备方法及用途，该噁唑嘧啶酮酰胺类化合物的结构通式（Ⅰ）如下：其中，R1，R2各自独立地选自氢、C1‑3烷基；R3选自C1‑3烷基；R4，R5各自独立地选自5‑6元芳香基，所述芳香基为苯基或含1‑3个杂原子的芳杂基，该杂原子取自氧或氮原子，杂原子的位置在芳杂基上任一位置；所述芳香基未取代或至少被一个或多个卤素或C1‑3烷基、C1‑3多卤代烷基、C1‑3烷氧基取代。本发明还公开了其作为TRPA1拮抗剂的用途，用于制备治疗或预防由TRPA1调节的疾病、病症和/或障碍，如疼痛等的药物。

  公开号：

  CN112794860A
• 作为产物：
  描述：

  2-溴-3-氨基-6-甲基吡啶 在 盐酸 、 sodium nitrite 、 hexafluorophosphoric acid 作用下， 以 水 为溶剂， 反应 0.17h， 以38%的产率得到2-溴-3-氟-6-甲基吡啶
  参考文献：
  名称：

  Synthesis and biological evaluation of 5-(fluoro-substituted-6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazoles as inhibitors of transforming growth factor-β type I receptor kinase

  摘要：

  To further optimize a clinical candidate 5 (EW-7197), a series of 5-(3-, 4-, or 5-fluoro-substituted-6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazoles 19a-l have been synthesized and evaluated for their TGF-beta type I receptor kinase (ALK5) and p38 alpha MAP kinase inhibitory activity in an enzyme assay. The 5-(5-fluoro-substituted-6-methylpyridin-2-yl)-4-([1,2,4] triazolo[1,5-a] pyridin-6-yl)imidazoles 19h-1 displayed the similar level of potency to that of 5 against both ALK5 (IC50 = 7.68-13.70 nM) and p38 alpha MAP kinase (IC50 = 1240-3370 nM). Among them, 19j inhibited ALK5 with IC50 value of 7.68 nM in a kinase assay and displayed 82% inhibition at 100 nM in a luciferase reporter assay. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.058

文献信息

• [EN] SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY<br/>[FR] COMPOSÉS SULFONAMIDES AYANT UNE ACTIVITÉ D'ANTAGONISTE DE TRPM8
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2012124825A1

  公开（公告）日：2012-09-20

  Sulfonamide compounds having TRPM8 antagonistic activity are provided. A sulfonamide compound of formula (I) or a pharmaceutically acceptable salt thereof, or a prodrug thereof: (I) wherein Ring A is bicyclic aromatic heterocycle comprised of (a) pyridine is condensed with benzene; or (b) pyridine is condensed with monocyclic aromatic heterocycle, and Ring A binds to a sulfonylamino moiety on a carbon atom adjacent to a nitrogen atom of the pyridine ring constituting Ring A, Ring B is (a) monocyclic or bicyclic aromatic hydrocarbon; (b) monocyclic or bicyclic alicyclic hydrocarbon; (c) monocyclic or bicyclic aromatic heterocycle; or (d) monocyclic or bicyclic non-aromatic heterocycle, Ring C is (a) benzene; or (b) monocyclic aromatic heterocycle, and other symbols are the same as defined in the specification.

  提供具有TRPM8拮抗活性的磺胺类化合物。公式（I）的磺胺类化合物或其药学上可接受的盐，或其前药：（I）其中环A是由（a）吡啶与苯环融合；或（b）吡啶与单环芳香杂环融合而成的双环芳香杂环，环A与构成环A的吡啶环上的氮原子相邻的碳原子上的磺酰氨基团结合，环B是（a）单环或双环芳香烃；（b）单环或双环脂环烃；（c）单环或双环芳香杂环；或（d）单环或双环非芳香杂环，环C是（a）苯环；或（b）单环芳香杂环，其他符号与规范中定义的相同。
• Sustainable ppm level palladium-catalyzed aminations in nanoreactors under mild, aqueous conditions
  作者：Yitao Zhang、Balaram S. Takale、Fabrice Gallou、John Reilly、Bruce H. Lipshutz

  DOI：10.1039/c9sc03710a

  日期：——

  Greening-up aminations: a well-defined palladium pre-catalyst enables ppm-level Pd-catalyzed C–N cross couplings in water under very mild conditions. Comparisons using this protocol vs. traditional amination conditions for preparing key medicinal intermediates are demonstrated.

  绿色氨化：一个明确定义的钯前驱催化剂使得在非常温和的条件下，水中进行ppm级钯催化的C-N交叉偶联成为可能。使用这种方案与传统的氨化条件进行比较，以制备关键的药用中间体。
• Pyrrolidine derivatives, pharmaceutical compositions and uses thereof
  申请人：FLECK Martin

  公开号：US20140213568A1

  公开（公告）日：2014-07-31

  The invention relates to new pyrrolidine derivatives of the formula to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及公式的新吡咯烷衍生物，涉及它们作为药物的用途，涉及它们的治疗用途的方法，以及含有它们的药物组合物。
• [EN] N-(3-PYRIDYL) BIARYLAMIDES AS KINASE INHIBITORS<br/>[FR] N- (3-PYRIDYL)-BIARYLAMIDES EN TANT QU'INHIBITEURS DE KINASE
  申请人：NOVARTIS AG

  公开号：WO2014033631A1

  公开（公告）日：2014-03-06

  The present invention provides a compound of formula (I): as described herein, and pharmaceutically acceptable salts, enantiomers, rotamers, tautomers, or racemates thereof. Also provided are methods of treating a disease or condition mediated by PIM kinase using the compounds of Formula (I), and pharmaceutical compositions comprising such compounds.

  本发明提供了一种公式(I)的化合物：如本文所述，以及药用可接受的盐、对映异构体、旋转异构体、互变异构体或外消旋混合物。还提供了使用公式(I)的化合物治疗由PIM激酶介导的疾病或状况的方法，以及包含这些化合物的药物组合物。
• [EN] BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS<br/>[FR] COMPOSÉS BENZÈNESULFONAMIDES ET LEUR UTILISATION EN TANT QU'AGENTS THÉRAPEUTIQUES
  申请人：XENON PHARMACEUTICALS INC

  公开号：WO2017201468A1

  公开（公告）日：2017-11-23

  This invention is directed to benzenesulfonamide compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment of diseases or conditions associated with voltage-gated sodium channels, such as epilepsy.

  本发明涉及苯磺酰胺化合物，包括它们的立体异构体、对映异构体、互变异构体或其混合物；或用于治疗与电压门控钠通道相关的疾病或病症的药用可接受盐、溶剂化物或前药，例如癫痫。