5,6-二甲基-3-羧基-2-吡啶酮 | 51727-05-0

• 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: 5,6-二甲基-3-羧基-2-吡啶酮
• 中文别名: 5,6-二甲基-2-氧代-1,2-二氢吡啶-3-羧酸；5,6-二甲基-2-羟基烟酸；6-二甲基-3-羧基-2-吡啶酮
• 英文名称: 5,6-dimethyl-2-hydroxynicotinic acid
• 英文别名: 2-hydroxy-5,6-dimethylnicotinic acid；2-Hydroxy-5,6-dimethyl-nicotinsaeure；5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
• CAS: 51727-05-0
• 化学式: C₈H₉NO₃
• mdl: MFCD02642444
• 分子量: 167.164
• InChiKey: RRZTUQQCXRBPRG-UHFFFAOYSA-N

物化性质

• 熔点：
  310-312 °C (decomp)
• 沸点：
  400.6±45.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090
• WGK Germany：
  3
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 5,6-Dimethyl-2-Oxo-1,2-Dihydropyridine-3-
Carboxylic Acid
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
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.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 167,17 g/mol
No components need to be disclosed according to the applicable regulations.

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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. 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 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
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
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.
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
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
Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with
an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company.
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
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：

  5,6-二甲基-3-羧基-2-吡啶酮 在 三氯氧磷 作用下， 反应 10.5h， 生成 2-chloro-5,6-dimethylnicotinoyl chloride
  参考文献：
  名称：

  [EN] 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS
  [FR] 2-AMINO-N-HÉTÉROARYL-NICOTINAMIDES UTILISÉS EN TANT QU'INHIBITEURS DE NAV1.8

  摘要：

  公开号：

  WO2020092667A8
• 作为产物：
  描述：

  2-hydroxy-5,6-dimethyl-nicotinic acid amide 在 盐酸 作用下， 生成 5,6-二甲基-3-羧基-2-吡啶酮
  参考文献：
  名称：

  Associations Between Egg Production and Clutch Length in Four Selected Lines of Chickens

  摘要：

  The use of partial records to measure egg production of pedigree breeders has numerous advantages including reduced labor and generation interval. Maintaining egg production in an era where emphasis in breeding programs involves yield and feed conversion presents a challenge to primary breeders. Because breeders obtain individual egg production records, interest in the possibility of using the association of various measures of clutch length with intensity of egg production has been renewed. The correlation of maximum clutch length (prime sequence) throughout lay and during the first 10, 15, and 30 d of lay with percentage hen-day ovulations and normal eggs in four lines (two White Leghorn and two White Plymouth Rock) of chickens during each of 2 yr was measured. Although the rankings of the lines were generally consistent both years for all traits measured, correlations among the sequence lengths with percentage hen-day ovulations and normal eggs were line specific. Thus, poultry breeders would have to determine which of these measures is most appropriate for inclusion with other measures of egg production for each of their specific lines.

  DOI：

  10.1093/japr/11.3.304

文献信息

• ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS
  申请人：Novartis AG

  公开号：US20200079772A1

  公开（公告）日：2020-03-12

  The invention provides compounds of Formula (I) as described herein, along with pharmaceutically acceptable salts, pharmaceutical compositions containing such compounds, and methods to use these compounds, salts and compositions for treating viral infections, particularly infections caused by herpesviruses.

  该发明提供了如下所述的化合物（I）的公式，以及与之配伍的药用盐、含有这些化合物的药物组合物，以及使用这些化合物、盐和组合物治疗病毒感染的方法，特别是由疱疹病毒引起的感染。
• 经选择的吡啶酮甲酰胺或其盐作为活性物质抵抗植物非生物胁迫的用途
  申请人：拜耳作物科学股份公司

  公开号：CN105530814A

  公开（公告）日：2016-04-27

  本发明涉及经选择的吡啶酮甲酰胺或其盐作为活性物质抵抗植物非生物胁迫的用途。本发明还涉及通式(I)的取代的吡啶酮甲酰胺或其盐(其中通式(I)中的基团对应于说明书中给出的定义)用于提高植物对非生物胁迫的耐受性，用于增强植物生长和/或用于提高植物产量的用途。本发明还涉及制备上述化合物的特定方法。
• 5,6-二甲基-2-羟基烟酸的制备工艺
  申请人：遵义医学院

  公开号：CN107698501A

  公开（公告）日：2018-02-16

  本发明提供了一种5,6‑二甲基‑2‑羟基烟酸1的制备工艺，包括以下步骤：1).2‑丁酮与甲酸乙酯在适当溶剂中以及碱存在下，在适当温度下反应得到化合物2，2).化合物2与氰基乙酰胺在适当溶剂中及适当温度下，缩合得到化合物3，3).化合物3在稀酸存在通过氰基水解得到5,6‑二甲基‑2‑羟基烟酸1；见以下合成路线：本发明的制备工艺中采用的原料、试剂以及溶剂均为常规合成试剂，价廉易得；各步反应条件温和，后处理操作简单，反应收率较高，且产物纯度高。产物的整体制备成本低，符合工业生产要求。
• CINNAMOYL COMPOUND AND USE THEREOF
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1857455A1

  公开（公告）日：2007-11-21

  Disclosed is an extracellular matrix genetranscription inhibitor composition or the like characterized by containing a cinnamoyl compound represented by the formula(I) below: and an inert carrier.

  揭示了一种包含下面式(I)所代表的肉桂酰化合物和惰性载体的细胞外基质基因转录抑制剂组合物或类似物。
• Cinnamoyl Compound and Use Thereof
  申请人：Shiraki Hiroaki

  公开号：US20100081652A1

  公开（公告）日：2010-04-01

  Disclosed is an extracellular matrix genetranscription inhibitor composition or the like characterized by containing a cinnamoyl compound represented by the formula (I) below: and an inert carrier.

  本发明涉及一种细胞外基质基因转录抑制剂组合物，其特征在于包含以下式子（I）所表示的肉桂酰化合物和惰性载体。