1-(2-呋喃基)-4,5-二氧代吡咯烷-3-羧酸乙酯 | 142774-43-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-(2-呋喃基)-4,5-二氧代吡咯烷-3-羧酸乙酯
• 英文名称: ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate
• 英文别名: ethyl 1-(furan-2-ylmethyl)-4,5-dioxopyrrolidine-3-carboxylate
• CAS: 142774-43-4
• 化学式: C₁₂H₁₃NO₅
• mdl: MFCD00085072
• 分子量: 251.239
• InChiKey: YGYRGGBYAUAMKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  76.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38

SDS

Name:	Ethyl 1-(2-furylmethyl)-4 5-dioxopyrrolidine-3-carboxylate 97% Material Safety Data Sheet
Synonym:	2,3-Dioxo-4-ethoxycarbonyl-1-furfurylpyrrolidin
CAS:	142774-43-4

Section 1 - Chemical Product MSDS Name:Ethyl 1-(2-furylmethyl)-4 5-dioxopyrrolidine-3-carboxylate 97% Material Safety Data Sheet
Synonym:2,3-Dioxo-4-ethoxycarbonyl-1-furfurylpyrrolidin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
142774-43-4	Ethyl 1-(2-furylmethyl)-4,5-dioxopyrro	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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# 142774-43-4: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 127 - 129 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: C12H13NO5
Molecular Weight: 251

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Reducing agents, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 142774-43-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 142774-43-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 142774-43-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 142774-43-4 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：

  ethyl 3-[(aminocarbonyl)diazenyl]but-2-enoate 、 1-(2-呋喃基)-4,5-二氧代吡咯烷-3-羧酸乙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以59%的产率得到diethyl 1-[(aminocarbonyl)amino]-5-(2-furylmethyl)-6a-hydroxy-2-methyl-6-oxo-4,5,6,6a-tetrahydropyrrolo[3,4-b]pyrrole-3,3a(1H)-dicarboxylate
  参考文献：
  名称：

  1,2-二氮杂-1,3-二烯的稠合杂环的简单一锅法合成

  摘要：

  6a-羟基-6,6a-dihydro-1H-thieno[3,4-b]pyrrole-3,3a(4H)-dicarboxylates, 5-(2-furylmethyl)-6a​​-hydroxy-的碱促进化学选择性合成6-oxo-4,5,6,6a-四氢吡咯并[3,4-b]pyrrole-3,3a(1H)-dicarboxylates, and 5-benzyl-7a-hydroxy-1,4,5,6, 7,7a-六氢-3aH-pyrrolo-[3,2-c]pyridine-3,3a-dicarboxylates 从二氮杂二烯和含有活化次甲基的杂环开始被开发出来。这种转化是通过迈克尔加成/5-外环化序列进行的。

  DOI：

  10.1002/ejoc.201100340

文献信息

• PYRROLIDINE DIONE DERIVATIVES
  申请人：PFIZER INC.

  公开号：EP0553130B1

  公开（公告）日：1996-01-03
• [EN] PYRROLIDINE DIONE DERIVATIVES
  申请人：——

  公开号：WO1992006954A2

  公开（公告）日：1992-04-30

  [EN] This invention relates to pyrrolidine dione derivatives of formula (I), (II) or (III), wherein R, R<1>, R<3>, R<4>, R<5> and X are as defined below. These compounds are aldose reductase inhibitors and are useful in the treatment of diabetes associated complications such as neuropathy, nephropathy, retinopathy and cataracts. The invention also relates to compositions comprising the above compounds and methods for using those compositions in the treatment of the above diabetes associated complications.
  [FR] Dérivés de pyrrolidine dione de la formule (I), (II) ou (III), dans lesquelles R, R1, R3, R4, R5 et X sont définis ci-dessous. Ces composés sont des inhibiteurs de la réductase d'aldose et sont utiles dans le traitement des complications associées au diabète telles que la neuropathie, la néphropathie, la rétinopathie et la cataracte. Ladite invention concerne également des compositions contenant les composés susmentionnés et des méthodes d'utilisation desdites compositions dans le traitement desdites complications associées au diabète.
• Easy One-Pot Synthesis of Fused Heterocycles from 1,2-Diaza-1,3-dienes
  作者：Orazio A. Attanasi、Luca Bianchi、Lucia De Crescentini、Gianfranco Favi、Fabio Mantellini

  DOI：10.1002/ejoc.201100340

  日期：2011.6

  o-4,5,6,6a-tetra-hydropyrrolo[3,4-b]pyrrole-3,3a(1H)-dicarboxylates, and 5-benzyl-7a-hydroxy-1,4,5,6,7,7a-hexahydro-3aH-pyrrolo-[3,2-c]pyridine-3,3a-dicarboxylates starting from diazadienes and heterocycles containing an activated methine group has been developed. This transformations proceeds by Michael addition/5-exo cyclization sequence.

  6a-羟基-6,6a-dihydro-1H-thieno[3,4-b]pyrrole-3,3a(4H)-dicarboxylates, 5-(2-furylmethyl)-6a​​-hydroxy-的碱促进化学选择性合成6-oxo-4,5,6,6a-四氢吡咯并[3,4-b]pyrrole-3,3a(1H)-dicarboxylates, and 5-benzyl-7a-hydroxy-1,4,5,6, 7,7a-六氢-3aH-pyrrolo-[3,2-c]pyridine-3,3a-dicarboxylates 从二氮杂二烯和含有活化次甲基的杂环开始被开发出来。这种转化是通过迈克尔加成/5-外环化序列进行的。