2,3-二氢[1,4]二恶并[2,3-b]吡啶-7-甲醛 | 95849-26-6

• 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: 2,3-二氢[1,4]二恶并[2,3-b]吡啶-7-甲醛
• 中文别名: 2,3-二氢[1,4]二恶并[2,3-B]吡啶-7-甲醛；2,3-二氢-1,4-二氧并[2,3-b]吡啶-7-甲醛
• 英文名称: Pyrido<2,3-b><1,4>dioxen-7-carbaldehyd
• 英文别名: 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carbaldehyde；2,3-dihydro(1,4)dioxino(2,3-b)pyridine-7-carbaldehyde；2,3-dihydro-1,4-dioxino[2,3-b]pyridine-7-carbaldehyde；2,3-dihydro[1,4]dioxino[2,3-b]pyridine-7-carbaldehyde；Pyrido[2,3-b][1,4]dioxen-7-carbaldehyd
• CAS: 95849-26-6
• 化学式: C₈H₇NO₃
• 分子量: 165.148
• InChiKey: OZNRIAMVJSYDHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• WGK Germany：
  3
• 海关编码：
  2934999090

SDS

---

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2,3-Dihydro-[1,4]Dioxino[2,3-B]Pyridine-7-
Carbaldehyde
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
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
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 : 165,15 g/mol
No components need to be disclosed according to the applicable regulations.

---

SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
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.
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

---

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
Methods and materials for containment and cleaning up
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
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
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
No special environmental precautions required.

---

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
Other decomposition products - No data available
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.
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.
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
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：

  2,3-二氢[1,4]二恶并[2,3-b]吡啶-7-甲醛 在 镍 氢气 、 sodium methylate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 50.0h， 生成 7-(Δ¹-Pyrrolin-2-yl)-pyrido<2,3-b><1,4>dioxen
  参考文献：
  名称：

  Derivate des 1.3-Benzdioxols, 53 [1] Darstellung von N-Alkyl-2-aryl-pyrrolidinen

  摘要：

  摘要：使用内酯醚对1,3-苯并二氧杂环己烷基金属有机物、吡啶并[2.3-d]-1.3-二氧杂环己烷基金属有机物和吡啶并[2.3-b]-1.4-二氧杂环己烯基金属有机物进行转化并不成功。N-烷基-2-芳基吡咯烷10a-c、11a-c、12a、13a和14a通过醛4a-c经γ-酮腈7a-c和2-芳基-⊿1-吡咯烷8a-c合成；在某些情况下，收率很高。

  DOI：

  10.1515/znb-1984-1122
• 作为产物：
  描述：

  5-溴-2,3-二羟基吡啶 在 正丁基锂 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 2,3-二氢[1,4]二恶并[2,3-b]吡啶-7-甲醛
  参考文献：
  名称：

  Derivate des 1.3-Benzdioxols, 53 [1] Darstellung von N-Alkyl-2-aryl-pyrrolidinen

  摘要：

  摘要：使用内酯醚对1,3-苯并二氧杂环己烷基金属有机物、吡啶并[2.3-d]-1.3-二氧杂环己烷基金属有机物和吡啶并[2.3-b]-1.4-二氧杂环己烯基金属有机物进行转化并不成功。N-烷基-2-芳基吡咯烷10a-c、11a-c、12a、13a和14a通过醛4a-c经γ-酮腈7a-c和2-芳基-⊿1-吡咯烷8a-c合成；在某些情况下，收率很高。

  DOI：

  10.1515/znb-1984-1122

文献信息

• Compounds
  申请人：Cailleau Nathalie

  公开号：US20080221110A1

  公开（公告）日：2008-09-11

  Tricyclic nitrogen containing compounds and their use as antibacterials

  三环氮含化合物及其作为抗菌剂的用途
• [EN] DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF<br/>[FR] DÉRIVÉS DE PIPERLONGUMINE ET LEURS UTILISATIONS
  申请人：AURANSA INC

  公开号：WO2019103897A1

  公开（公告）日：2019-05-31

  The present invention relates to a group of 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3- dihydropyridin-6-one (piperlongumine) derivatives, analogs and pharmaceutically acceptable salts thereof. The present invention also relates to processes for preparing the same; a pharmaceutical composition and formulation containing a derivative of piperlogumine; and use of the derivatives and analogs for treating cancer.

  本发明涉及一组1-[(E)-3-(3,4,5-三甲氧基苯基)丙-2-烯酰基]-2,3-二氢吡啶-6-酮（长椒碱）衍生物、类似物及其药学上可接受的盐。本发明还涉及制备这些衍生物的方法；含有长椒碱衍生物的药物组合物和配方；以及利用这些衍生物和类似物治疗癌症。
• DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF
  申请人：Auransa Inc.

  公开号：US20200377510A1

  公开（公告）日：2020-12-03

  The present invention relates to a group of 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (piperlongumine) derivatives, analogs and pharmaceutically acceptable salts thereof. The present invention also relates to a pharmaceutical composition and formulation containing a derivative of piperlongumine; and use of the derivatives and analogs for treating cancer, reducing inflammation and/or treating an autoimmune or inflammatory disease.

  本发明涉及一组1-[(E)-3-(3,4,5-三甲氧基苯基)丙-2-烯酰基]-2,3-二氢吡啶-6-酮（长椒碱）衍生物、类似物及其药学上可接受的盐。本发明还涉及含有长椒碱衍生物的药物组合物和配方；以及利用这些衍生物和类似物治疗癌症、减少炎症和/或治疗自身免疫或炎症性疾病。
• Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis
  申请人：GLAXO GROUP LIMITED

  公开号：EP1980251A1

  公开（公告）日：2008-10-15

  Tricyclic nitrogen-containing compounds of Formula (I) and pharmaceutically acceptable derivatives thereof: compositions containing them, their use in the treatment of tuberculosis, and methods for the preparation of such compounds.

  公式（I）中的三环含氮化合物及其药用可接受衍生物： 包含它们的组合物，它们在结核病治疗中的用途，以及制备这类化合物的方法。
• [EN] BICYCLIC OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA BICYCLIQUE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018109198A1

  公开（公告）日：2018-06-21

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C9ORF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗抑制OGA有益的疾病的用途，例如tau病变，特别是阿尔茨海默病或进行性上核性麻痹症；以及伴有tau病理的神经退行性疾病，特别是由C9ORF72突变引起的肌萎缩侧索硬化或额颞叶痴呆症。