2-甲氧基-3-吡啶醛 | 71255-09-9

• 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-甲氧基-3-吡啶醛
• 中文别名: 2-甲氧基吡啶-3-甲醛；2-甲氧基烟碱醛；2-甲氧基-3-吡啶甲醛；2-甲氧基-3-甲酰基吡啶
• 英文名称: 2-methoxynicotinaldehyde
• 英文别名: 2-methoxypyridine-3-carbaldehyde；2-methoxy-3-pyridinecarboxaldehyde；3-formyl-2-methoxypyridine；2-methoxypyridine-3-carboxaldehyde
• CAS: 71255-09-9
• 化学式: C₇H₇NO₂
• 分子量: 137.138
• InChiKey: PIFFMIDNNWOQLK-UHFFFAOYSA-N

物化性质

• 沸点：
  200-201 °C (lit.)
• 密度：
  1.161 g/mL at 25 °C (lit.)
• 闪点：
  205 °F
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R41,R43
• WGK Germany：
  3
• 海关编码：
  2933399090
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H317,H318
• 危险性防范说明：
  P280,P305 + P351 + P338
• 储存条件：
  存放在密封容器中，并置于阴凉、干燥处。储存地点须远离氧化剂。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name : 2-Methoxy-3-pyridinecarboxaldehyde

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
According to Regulation (EC) No1272/2008
Serious eye damage (Category 1)
Skin sensitization (Category 1)
According to European Directive 67/548/EEC as amended.
Risk of serious damage to eyes. May cause sensitization by skin contact.
Label elements
Pictogram
Signal word Danger
Hazard statement(s)
H317 May cause an allergic skin reaction.
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.
Hazard symbol(s)
Xi Irritant
R-phrase(s)
R41 Risk of serious damage to eyes.
R43 May cause sensitization by skin contact.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Formula : C7H7NO2
Molecular Weight : 137,14 g/mol
CAS-No. EC-No. Index-No. Classification Concentration
2-Methoxy-3-pyridinecarboxaldehyde
71255-09-9 - - Eye Dam. 1; Skin Sens. 1; -
H317, H318
Xi, R41 - R43
For the full text of the H-Statements mentioned in this Section, see Section 16.

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Section 4. 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.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective equipment for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Normal measures for preventive fire protection.
Conditions for safe storage
Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully
resealed and kept upright to prevent leakage. Store in cool place.

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Personal protective equipment
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with
multi-purpose combination (US) or type ABEK (EN 14387) 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).
Hand 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.
Eye protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection tested and
approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin and 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.
Hygiene measures
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
the end of workday.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Form liquid
Colour yellow
Safety data
pH no data available
Melting point no data available
Boiling point 200 - 201 °C - lit.
Flash point 96 °C - closed cup
Ignition temperature no data available
Lower explosion limit no data available
Upper explosion limit no data available
Density 1,161 g/cm3 at 25 °C
Water solubility no data available
Partition coefficient: log Pow: 0,503
n-octanol/water

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Section 10. STABILITY AND REACTIVITY
Chemical stability
Stable under recommended storage conditions.
Conditions to avoid
no data available
Materials to avoid
Oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx)

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Section 11. TOXICOLOGICAL INFORMATION
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
May cause sensitization by skin contact.
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
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes Causes eye burns.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

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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
PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional
waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
ADR/RID
Not dangerous goods
IMDG
Not dangerous goods
IATA
Not dangerous goods

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.

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Section 16. OTHER INFORMATION
Text of H-code(s) and R-phrase(s) mentioned in Section 3
Eye Dam. Serious eye damage
H317 May cause an allergic skin reaction.
H318 Causes serious eye damage.
Skin Sens. Skin sensitization
Xi Irritant
R41 Risk of serious damage to eyes.
R43 May cause sensitization by skin contact.
Further information
Copyright 2010 Co. 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. Co., shall not be held liable for any damage resulting from
handling or from contact with the above product. See 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-甲氧基-3-吡啶醛 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 0.75h， 以94%的产率得到(2-甲氧基-3-吡啶)甲醇
  参考文献：
  名称：

  砜基CRTh2拮抗剂的结构活性关系（SAR）和结构动力学关系（SKR）

  摘要：

  研究了单环和双环系统，将其作为一系列含二苯砜的乙酸CRTh2受体拮抗剂的“核心”部分。在单环和双环核中均观察到一定范围的效力，并获得了单位数纳摩尔的效力。单环化合物的停留时间非常短。一些双环核显示出更好的停留时间。在核心的北部，头部和尾部之间的甲基是开始长停留时间的必要条件。尾部取代的变化最大限度地提高了效力和停留时间。

  DOI：

  10.1016/j.ejmech.2016.02.023
• 作为产物：
  描述：

  2-氯吡啶 在 正丁基锂 、 diisopropylamide 作用下， 反应 9.0h， 生成 2-甲氧基-3-吡啶醛
  参考文献：
  名称：

  Trecourt, Francois; Marsais, Francis; Guengoer, Timur, Journal of the Chemical Society. Perkin transactions I, 1990, # 9, p. 2409 - 2415

  摘要：

  DOI：

文献信息

• Novel piperidine compouds and drugs containing the same
  申请人：——

  公开号：US20030220368A1

  公开（公告）日：2003-11-27

  The present invention provides a novel compound having a superior Na + channel inhibition activity. Namely, it provides a compound represented by the following formula (I), a salt thereof or a hydrate of them. 1 In the formula, the ring A represents a ring represented by the formula: 2 (wherein R 1 represents a hydrogen atom etc.; and R 2 represents indicates a hydrogen atom and the like) etc.; W represents an optionally substituted C 1-6 alkylene group etc.; Z represents an optionally substituted C 6-14 aromatic hydrocarbon cyclic group etc.; and l represents an integer from 0 to 6.

  本发明提供了一种具有优越的Na + 通道抑制活性的新型化合物。即提供了由以下式（I）表示的化合物，其盐或其水合物。 在该式中，环A表示由以下式表示的环： （其中R 1 表示氢原子等；R 2 表示表示氢原子等）等；W表示可选地取代的C 1-6 烷基等；Z表示可选地取代的C 6-14 芳香烃环基等；l表示0到6的整数。
• 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。
• Heterocyclic inhibitors of protein arginine methyl transferases
  申请人：Purandare Vinayak Ashok

  公开号：US20060235037A1

  公开（公告）日：2006-10-19

  A compound of formula I, or a stereoisomer, a tautomer, a pharmaceutically acceptable salt or solvate thereof, methods of using such compounds in the treatment of hyperproliferative, inflammatory, infectious, and immunoregulatory disorders and diseases; and to pharmaceutical compositions containing such compounds.

  I型化合物的化合物，或其立体异构体、互变异构体、药用可接受的盐或溶剂化物； 使用此类化合物治疗增生性、炎症性、传染性和免疫调节障碍及疾病的方法；以及含有此类化合物的药物组合物。
• Synthesis and identification of heteroaromatic<i>N</i>-benzyl sulfonamides as potential anticancer agents
  作者：Megan D. Hopkins、Felagot A. Abebe、Kristina A. Scott、Garett L. Ozmer、Alec A. Sheir、Lucas J. Schroeder、Robert J. Sheaff、Angus A. Lamar

  DOI：10.1039/c9ob01694e

  日期：——

  assay. The cell viability investigation identifies a subset of N-benzylic sulfonamides derived from the indole scaffold to be targeted for further development into novel molecules with potential therapeutic value. The most cytotoxic of the compounds prepared, AAL-030, exhibited higher potency than other well-known anticancer agents Indisulam and ABT-751.

  磺酰胺类是在许多药物中普遍存在的关键性生物等排体，但是，直接由杂芳基醛试剂生产的可用方法仍然令人惊讶地受到限制。已经开发了一种新的方法，用于将磺酰胺单元区域选择性地掺入杂芳烃支架中，并在其中报道。结果，通过原位还原中间体N，通过两步（一锅）形成，制备了多种伯苄基N-烷基磺酰胺。-磺酰亚胺在温和的实际条件下。使用细胞滴度蓝测定法已经针对多种细胞系针对细胞毒性作用筛选了该化合物。细胞活力研究确定了衍生自吲哚支架的N-苄基磺酰胺的子集，可将其进一步开发成具有潜在治疗价值的新型分子。所制备化合物中最具细胞毒性的化合物AAL-030比其他知名的抗癌药Indisulam和ABT-751表现出更高的效力。
• Pyrazolopyrimidines as therapeutic agents
  申请人：Abbott Laboratories

  公开号：US20020156081A1

  公开（公告）日：2002-10-24

  The present invention provides compounds of Formula I, 1 including pharmaceutically acceptable salts and/or prodrugs thereof, where G, R 2 , and R 3 are defined as described herein.

  本发明提供了公式I的化合物，包括其药学上可接受的盐和/或前药，其中G、R2和R3的定义如本文所述。