4-氯-6-乙基-2-甲基嘧啶 | 89966-72-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-氯-6-乙基-2-甲基嘧啶
• 英文名称: 4-chloro-6-ethyl-2-methylpyrimidine
• 英文别名: 4-chloro-6-ethyl-2-methyl-pyrimidine；4-Chlor-2-methyl-6-ethyl-pyrimidin；6-Chlor-2-methyl-4-ethylpyrimidin
• CAS: 89966-72-3
• 化学式: C₇H₉ClN₂
• mdl: MFCD07782027
• 分子量: 156.615
• InChiKey: JQRFVVPNKXQKBM-UHFFFAOYSA-N

物化性质

• 沸点：
  209.1±20.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R41
• WGK Germany：
  3

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4-Chloro-6-Ethyl-2-Methylpyrimidine
: CBR00125
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.

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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
Serious eye damage (Category 1), H318
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
Xi Irritant R41
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 Danger
Hazard statement(s)
Harmful if swallowed.
Causes serious eye damage.
Precautionary statement(s)
Wear protective gloves/ eye protection/ face protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
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 : 156,62 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
4-Chloro-6-Ethyl-2-Methylpyrimidine
Acute Tox. 4; Eye Dam. 1; <= 100 %
H302, H318
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
4-Chloro-6-Ethyl-2-Methylpyrimidine
Xn, Xi, R22R41 <= 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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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
No data available
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. Evacuate personnel to safe areas. 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
Face shield and safety glasses 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
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. 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
Other decomposition products - No data available
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.
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
Xn Harmful
R22 Harmful if swallowed.
R41 Risk of serious damage to eyes.
Further information
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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氯-6-乙基-2-甲基嘧啶 在 sodium 、 间氯过氧苯甲酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 16.5h， 生成 4-ethyl-2-methyl-6-(phenylsulfonyl)pyrimidine
  参考文献：
  名称：

  [EN] SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS
  [FR] COMPOSÉS TÉTRAHYDROQUINOLINONE SUBSTITUÉS EN TANT QUE MODULATEURS DE ROR GAMMA

  摘要：

  本发明提供了公式（I）的取代四氢喹啉酮及相关化合物，作为视黄酸受体相关孤儿受体（RORs）的调节剂，在RORγ调节剂方面具有治疗上的用途。这些化合物在治疗和预防疾病和/或紊乱方面具有用途，特别是它们在由RORγ受体介导的疾病和/或紊乱中的用途。本发明还提供了这些化合物的制备以及包含至少一种取代四氢喹啉酮或相关化合物的制剂和药物配方，以及其所用的药学上可接受的载体、稀释剂或赋形剂。

  公开号：

  WO2016185342A1
• 作为产物：
  描述：

  2-甲基-4-乙基-6-羟基嘧啶 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以77%的产率得到4-氯-6-乙基-2-甲基嘧啶
  参考文献：
  名称：

  [EN] SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS
  [FR] COMPOSÉS TÉTRAHYDROQUINOLINONE SUBSTITUÉS EN TANT QUE MODULATEURS DE ROR GAMMA

  摘要：

  本发明提供了公式（I）的取代四氢喹啉酮及相关化合物，作为视黄酸受体相关孤儿受体（RORs）的调节剂，在RORγ调节剂方面具有治疗上的用途。这些化合物在治疗和预防疾病和/或紊乱方面具有用途，特别是它们在由RORγ受体介导的疾病和/或紊乱中的用途。本发明还提供了这些化合物的制备以及包含至少一种取代四氢喹啉酮或相关化合物的制剂和药物配方，以及其所用的药学上可接受的载体、稀释剂或赋形剂。

  公开号：

  WO2016185342A1

文献信息

• [EN] INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS<br/>[FR] COMPOSÉS D'INDOLE OU BENZIMIDAZOLE CONVENANT COMME INHIBITEURS DE LA KINASE MTOR
  申请人：AMGEN INC

  公开号：WO2010096314A1

  公开（公告）日：2010-08-26

  The present invention provides compounds that are kinase inhibitors, specifically PIK kinase inhibitors, more specifically, mTOR inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of kinases, specifically PIK kinase inhibitors, more specifically, mTOR such as cancer. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一种激酶抑制剂化合物，具体来说是PIK激酶抑制剂，更具体地说是mTOR抑制剂，因此适用于治疗通过抑制激酶治疗的疾病，特别是PIK激酶抑制剂，更具体地说是mTOR抑制剂，例如癌症。还提供了含有这些化合物的药物组合物和制备这些化合物的方法。
• [EN] BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS<br/>[FR] BIPHÉNYL-SULFONAMIDES EN TANT QUE DOUBLES ANTAGONISTES DES RÉCEPTEURS DE L'ENDOTHÉLINE ET DE L'ANGIOTENSINE
  申请人：LIGAND PHARM INC

  公开号：WO2009155448A1

  公开（公告）日：2009-12-23

  Biphenyl sulfonamide compounds are disclosed that are combined- angiotensin and endothelin receptor antagonists useful in the treatment of conditions such as hypertension and other diseases. Compounds of the general formula I as disclosed herein and pharmaceutically acceptable salts thereof are disclosed, as are uses thereof and pharmaceutical compositions comprising such compounds.

  本文披露了联合血管紧张素和内皮素受体拮抗剂的二苯基磺酰胺化合物，可用于治疗高血压和其他疾病。本文披露了如下的一般式I的化合物及其药学上可接受的盐，以及它们的用途和包含这些化合物的制剂。
• Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression
  申请人：Bursavich Matthew Gregory

  公开号：US20090325964A1

  公开（公告）日：2009-12-31

  The present teachings relate to piperazine metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulators having Formula I: wherein the constituent variables are as defined herein. The present teachings further relate to methods for the preparation of the compounds, and to methods for using the compounds for treatment of diseases and disorders including schizophrenia, paranoia, depression, manic-depressive illness and anxiety.

  本发明涉及具有公式I的哌嗪代谢型谷氨酸受体5（mGluR5）负向变构调节剂： 其中，组成变量如本文所定义。本发明还涉及制备该化合物的方法，并涉及使用该化合物治疗疾病和障碍的方法，包括精神分裂症、偏执症、抑郁症、躁郁病和焦虑症。
• Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors
  申请人：Boezio Alessandro

  公开号：US20120165334A1

  公开（公告）日：2012-06-28

  The present invention provides compounds that are kinase inhibitors, specifically PIK kinase inhibitors, more specifically, mTOR inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of kinases, specifically PIK kinase inhibitors, more specifically, mTOR such as cancer. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一种激酶抑制剂，具体地说是PIK激酶抑制剂，更具体地说是mTOR抑制剂，因此适用于治疗通过抑制激酶，特别是PIK激酶抑制剂，更具体地说是mTOR抑制剂可治疗的疾病，例如癌症。还提供了含有这种化合物的药物组合物和制备这种化合物的方法。
• [EN] SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DE KINASES INDUCTIBLES PAR LE SEL
  申请人：JANSSEN BIOTECH INC

  公开号：WO2022165530A1

  公开（公告）日：2022-08-04

  Small molecule inhibitors of salt inducible kinases (SIKs) are provided. In particular, compounds of formula (II) and compounds of formula (III), and tautomers, stereoisomers, pharmaceutically acceptable salts and solvates thereof are provided. Also provided are pharmaceutical compositions containing the compounds, methods of preparing the compounds, and methods of using the compounds for inhibiting SIKs, such as SIK1 and SIK2, and methods of treating diseases mediated by SIKs.

  提供了盐诱导激酶(SIKs)的小分子抑制剂。具体而言，提供了公式(II)和公式(III)的化合物，以及其互变异构体、立体异构体、药学上可接受的盐和溶剂。还提供了含有这些化合物的药物组合物、制备这些化合物的方法，以及使用这些化合物抑制SIKs（例如SIK1和SIK2）和治疗由SIKs介导的疾病的方法。