2-氯-6-甲氧基吡嗪 - CAS号 33332-30-8

物化性质

沸点：

183.3±35.0 °C(Predicted)
密度：

1.292±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

1.6
重原子数：

9
可旋转键数：

1
环数：

1.0
sp3杂化的碳原子比例：

0.2
拓扑面积：

35
氢给体数：

0
氢受体数：

3

安全信息

海关编码：

2933990090
危险性防范说明：

P261,P305+P351+P338
危险性描述：

H315,H319,H335

SDS

SDS：8a2c55d5e3c0fc7b68d6c40f60f87410

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-Chloro-6-Methoxypyrazine
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

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
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)
H302 Harmful if swallowed.
H318 Causes serious eye damage.
Precautionary statement(s)
P280 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.

SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 144,56 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-Chloro-6-Methoxypyrazine
Acute Tox. 4; Eye Dam. 1; <= 100 %
H302, H318
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
2-Chloro-6-Methoxypyrazine
Xn, R22R41 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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

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

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.

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

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.

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

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

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.

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

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.

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

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

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
Eye Dam. Serious eye damage
H302 Harmful if swallowed.
H318 Causes serious eye damage.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
R41 Risk of serious damage to eyes.
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.

反应信息

作为反应物：

描述：

2-氯-6-甲氧基吡嗪在 urea hydrogen peroxide 、三氟乙酸酐作用下，以二氯甲烷为溶剂，反应 2.0h，以98%的产率得到2-chloro-6-methoxy-pyrazine 4-oxide

参考文献：

名称：

[EN] ARYL-ALKYNE COMPOUNDS AS HERBICIDES
[FR] NOUVEAUX HERBICIDES

摘要：

式（I）中的化合物，其中Q是一个分子式（II），（III）的基团；Z是=N-，分子式（IV）或=C（R2）-；n为0、1、2或3；R3或R4各自独立地为氢、卤素、-CN、C1-C4烷基或C1-C4烷氧基；或者R3和R4一起为C2-C5烷基；以及式（I）中的化合物的所有立体异构体和互变异构体的农药可接受盐可用作除草剂。

公开号：

WO2003087067A1
作为产物：

描述：

甲醇、 2,6-二氯吡嗪在 sodium hydride 作用下，以乙二醇二甲醚为溶剂，反应 0.33h，以86%的产率得到2-氯-6-甲氧基吡嗪

参考文献：

名称：

格氏试剂向N-酰基吡嗪鎓盐的区域选择性加成：取代的1,2-二氢吡嗪和Δ5-2-氧代哌嗪的合成。

摘要：

描述了格氏试剂向单取代和二取代的N-酰基吡嗪鎓盐的区域选择性加成，以适中至优异的产率（45-100％）提供了取代的1，2-二氢吡嗪。在酸性条件下，这些1,2-二氢吡嗪可被转化为取代的Δ5-2-氧代哌嗪，从而提供了一种简单有效的制备方法。

DOI：

10.3762/bjoc.15.8
作为试剂：

描述：

2,6-二氯吡嗪、 sodium methylate 在正己烷、 2-氯-6-甲氧基吡嗪、异丙醇作用下，以甲醇为溶剂，反应 1.0h，以gives 2-chloro-6-methoxypyrazine as an oil at room temperature的产率得到2-氯-6-甲氧基吡嗪

参考文献：

名称：

Piperazinylpyrazines

摘要：

公式为##STR1##的化合物及其N-氧化物和酸加成盐被披露为具有抑制食欲活性的药物。

公开号：

US04081542A1

点击查看最新优质反应信息

文献信息

NOVEL COMPOUNDS

申请人：GRAUERT Matthias

公开号：US20130184248A1

公开（公告）日：2013-07-18

This invention relates to compounds of formula I their use as positive allosteric modulators of mGlu5 receptor activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of neurological and psychiatric disorders associated with glutamate dysfunction such as schizophrenia or cognitive decline such as dementia or cognitive impairment. A, B, Ar, R 1 , R 2 , R 3 have meanings given in the description.

这项发明涉及到式I的化合物，它们作为mGlu5受体活性的正向变构调节剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防与谷氨酸功能障碍相关的神经和精神疾病，如精神分裂症或认知功能下降，如痴呆症或认知障碍的药剂的方法。A、B、Ar、R1、R2、R3在描述中有给定的含义。
Nitrogen containing heterocyclic compounds and medicines containing the same

申请人：——

公开号：US20040167224A1

公开（公告）日：2004-08-26

Compounds represented by the following general formula: 1 (wherein X 1 , X 2 , X 3 and X 4 each independently represent a single bond, C 1-6 alkylene, etc.; A 2 represents optionally substituted phenyl, etc.; A 1 represents an optionally substituted 5- to 7-membered heterocyclic group containing —C(═Q 1 )— (wherein Q 1 represents oxygen, sulfur or ═N—R 11 (wherein R 11 represents hydrogen or C 1-6 alkyl)) and nitrogen, etc.; and Z 1 represents piperidin-diyl, etc.), salts thereof and hydrates of the foregoing.

由以下一般式表示的化合物： 1 （其中X 1 、X 2 、X 3 和X 4 分别独立表示单键，C 1-6 烷基等；A 2 表示可选择地取代的苯基等；A 1 表示可选择地取代的含有—C(═Q 1 )—的5-至7-成员杂环基团（其中Q 1 表示氧、硫或═N—R 11 （其中R 11 表示氢或C 1-6 烷基））和氮等；以及Z 1 表示哌啶二基等），以及其盐和上述化合物的水合物。
[EN] GCN2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE GCN2 ET LEURS UTILISATIONS

申请人：MERCK PATENT GMBH

公开号：WO2019148132A1

公开（公告）日：2019-08-01

The present invention provides compounds, compositions thereof, and methods of using the same.

本发明提供了化合物、其组合物以及使用它们的方法。
[EN] HETEROARYLBENZIMIDAZOLE COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROARYLBENZIMIDAZOLE

申请人：BAYER PHARMA AG

公开号：WO2017102091A1

公开（公告）日：2017-06-22

The present invention covers heteroarylbenzimidazole compounds of general formula (I) in which R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative and/or inflammatory disorders, as a sole agent or in combination with other active ingredients.

本发明涵盖了一般式（I）中的杂环芳基苯并咪唑化合物，其中R1、R2、R3、R4和R5如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗或预防过度增殖和/或炎症性疾病的药物组合物，作为唯一活性成分或与其他活性成分组合使用。
SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M

申请人：Lee Wen-Hwa

公开号：US20150105391A1

公开（公告）日：2015-04-16

Certain embodiments of the present invention provide selected compounds having a molecular structure according to Formula 1: In Formula 1, Z is —CO—, —SO—, or —SO 2 —; Ar is phenyl, heteroaryl, or heterocycloalkyl; Het is heteroaryl; R is R″, X, or NR 1 R 2 ; R′ is R 3 , or OR 3 ; R″ is R 4 , or OR 4 ; R 1 and R 2 are each independently H, alkyl, or acyl; R 3 is H, heteroaryl, or alkyl; R 4 is H, heteroaryl, or C n H 2n+1 (n>2); and X is F, Br, I, CN, or NO 2 . In some embodiments, compounds having a molecular structure according to Formula 1 have the property of inhibiting a growth of a cell line selected from HeLa and MB468 with a sub-micromolar IC 50 .

本发明的某些实施例提供具有分子结构的选择性化合物，符合以下公式1：在公式1中，Z为—CO—，—SO—或—SO2—；Ar为苯基，杂环芳基或杂环烷基；Het为杂环芳基；R为R″，X或NR1R2；R′为R3或OR3；R″为R4或OR4；R1和R2各自独立地为H，烷基或酰基；R3为H，杂环芳基或烷基；R4为H，杂环芳基或CnH2n+1（n>2）；X为F，Br，I，CN或NO2。在某些实施例中，具有符合公式1的分子结构的化合物具有抑制来自HeLa和MB468中选定细胞系的生长的特性，其IC50为亚微摩尔。

2-氯-6-甲氧基吡嗪 | 33332-30-8

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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