2-(3,5-二氯-4-氧代-1,4-二氢吡啶-1-基)乙酸乙酯 | 70149-51-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-(3,5-二氯-4-氧代-1,4-二氢吡啶-1-基)乙酸乙酯
• 英文名称: 3,5-Dichlor-4-pyridon-1-yl-ethylacetat
• 英文别名: Ethyl 2-(3,5-dichloro-4-oxo-1,4-dihydropyridin-1-yl)acetate；ethyl 2-(3,5-dichloro-4-oxopyridin-1-yl)acetate
• CAS: 70149-51-8
• 化学式: C₉H₉Cl₂NO₃
• mdl: MFCD00204219
• 分子量: 250.081
• InChiKey: WEFJPWOOBWCWLZ-UHFFFAOYSA-N

物化性质

• 熔点：
  209 °C
• 溶解度：
  35.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38

SDS

Name:	Ethyl 2-(3 5-dichloro-4-oxo-1 4-dihydropyridin-1-yl)acetate 97% Material Safety Data Sheet
Synonym:	3,5-Dichloro-1-ethoxycarbonylmethyl-4-pyridon
CAS:	70149-51-8

Section 1 - Chemical Product MSDS Name:Ethyl 2-(3 5-dichloro-4-oxo-1 4-dihydropyridin-1-yl)acetate 97% Material Safety Data Sheet
Synonym:3,5-Dichloro-1-ethoxycarbonylmethyl-4-pyridon

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
70149-51-8	Ethyl 2-(3,5-dichloro-4-oxo-1,4-dihydr	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 70149-51-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: grey
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 209 - 211 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H9Cl2NO3
Molecular Weight: 250

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 70149-51-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-(3,5-dichloro-4-oxo-1,4-dihydropyridin-1-yl)acetate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 70149-51-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 70149-51-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 70149-51-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(3,5-二氯-4-氧代-1,4-二氢吡啶-1-基)乙酸乙酯 、 7-氨基-3-{[(5-甲基-1,3,4-噻二唑-2-基)硫]甲基}头孢霉素烷酸 在 三甲基铝 、 碳酸氢钠 作用下， 以 正己烷 、 乙腈 、 水 为溶剂， 反应 6.0h， 以96.6%的产率得到cefazedone sodium
  参考文献：
  名称：

  一种头孢西酮钠化合物的制备方法

  摘要：

  本发明公开了一种头孢西酮钠化合物的制备方法。本发明采用7‑ACA与化合物Ⅲ反应制备化合物Ⅳ，化合物Ⅳ与化合物Ⅴ进行酰胺化反应，成盐，精制得到头孢西酮钠(Ⅰ)精品。该反应工艺路线简单，总收率及纯度高，适合工业化生产。

  公开号：

  CN108084213B

文献信息

• 一种头孢西酮钠化合物的制备方法
  申请人：山东裕欣药业有限公司

  公开号：CN108084213B

  公开（公告）日：2020-05-19

  本发明公开了一种头孢西酮钠化合物的制备方法。本发明采用7‑ACA与化合物Ⅲ反应制备化合物Ⅳ，化合物Ⅳ与化合物Ⅴ进行酰胺化反应，成盐，精制得到头孢西酮钠(Ⅰ)精品。该反应工艺路线简单，总收率及纯度高，适合工业化生产。