3-[(2-呋喃基甲基)氨基]丙酸乙酯 | 175203-83-5

• 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: 3-[(2-呋喃基甲基)氨基]丙酸乙酯
• 英文名称: ethyl 3-((furan-2-yl)methylamino)propanoate
• 英文别名: Ethyl 3-[(furan-2-ylmethyl)amino]propanoate；Ethyl 3-[(2-furylmethyl)amino]propanoate；ethyl 3-(furan-2-ylmethylamino)propanoate
• CAS: 175203-83-5
• 化学式: C₁₀H₁₅NO₃
• mdl: MFCD00219838
• 分子量: 197.234
• InChiKey: CUWYCUOEHDOVAJ-UHFFFAOYSA-N

物化性质

• 沸点：
  280.5±25.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi,C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2932190090

SDS

Name:	Ethyl 3-[(2-furylmethyl)amino]propanoate 97% Material Safety Data Sheet
Synonym:	Ethyl 3-(furfurylamino)propionat
CAS:	175203-83-5

Section 1 - Chemical Product MSDS Name:Ethyl 3-[(2-furylmethyl)amino]propanoate 97% Material Safety Data Sheet
Synonym:Ethyl 3-(furfurylamino)propionat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175203-83-5	Ethyl 3-[(2-furylmethyl)amino]propanoa	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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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# 175203-83-5: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C10H15NO3
Molecular Weight: 197

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acid chlorides, strong oxidizing agents, reducing 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# 175203-83-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3-[(2-furylmethyl)amino]propanoate - 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: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 175203-83-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175203-83-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175203-83-5 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：

  3-[(2-呋喃基甲基)氨基]丙酸乙酯 在 Ir(ppy)₂(4,4'-di-tert-butyl-2,2'-dipyridyl)PF₆*H₂O 、 水 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 33.0h， 生成 tert-butyl 2-hydroxy-1-oxa-7-azaspiro[4.4]non-3-ene-7-carboxylate
  参考文献：
  名称：

  可见光介导的（螺）芳基呋喃合成

  摘要：

  AbstractVisible light‐mediated decarboxylation using N‐acyloxyphthalimides as the source for carbon‐centered radicals was applied for the synthesis of spirobutenolides. The utility of this approach is demonstrated with the formal synthesis of (S)‐(+)‐lycoperdic acid. Alternatively, 2,3‐anellated furans can be obtained in a one‐pot procedure via photocyclization following a regioselective semipinacol rearrangement.magnified image

  DOI：

  10.1002/adsc.201300221
• 作为产物：
  描述：

  ethyl 3-[(furan-2-ylmethylene)amino]propanoate 在 sodium tetrahydroborate 、 乙醇 作用下， 生成 3-[(2-呋喃基甲基)氨基]丙酸乙酯
  参考文献：
  名称：

  EP2141168

  摘要：

  公开号：

文献信息

• HETEROARYL DERIVATIVES
  申请人：Matsuoka Masato

  公开号：US20100048537A1

  公开（公告）日：2010-02-25

  The present invention relates to a compound represented by formula [1] or a pharmaceutically acceptable salt thereof: In formula [1], one of X and Y is CH and the other is oxygen or sulfur; R is hydrogen, etc.; Z is hydrogen, etc.; Ar is phenyl, etc.; and n is 1 or 2 and or m is 1 or 2, excluding compounds where n is 2 and m is 2 simultaneously. Also provided is a pharmaceutical composition comprising a compound of formula [1] or a pharmaceutically acceptable salt thereof as an active ingredient. The composition is usable as an agent for the prevention or treatment of depression, panic disorder, anxiety, obsessive-compulsive disorder, chronic pain, fibromyalgia, obesity, stress urinary incontinence, and overactive bladder.

  本发明涉及一种由公式[1]表示的化合物或其药学上可接受的盐： 在公式[1]中，X和Y中的一个是CH，另一个是氧或硫；R是氢等；Z是氢等；Ar是苯等；n为1或2，m为1或2，不包括n为2且m为2的化合物。还提供了一种药物组合物，其包括公式[1]的化合物或其药学上可接受的盐作为活性成分。该组合物可作为预防或治疗抑郁症、惊恐障碍、焦虑症、强迫症、慢性疼痛、纤维肌痛、肥胖症、压力性尿失禁和过度活动膀胱的药物。
• Heteroaryl derivatives
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：US08217031B2

  公开（公告）日：2012-07-10

  The present invention relates to a compound represented by formula [1] or a pharmaceutically acceptable salt thereof: In formula [1], one of X and Y is CH and the other is oxygen or sulfur; R is hydrogen, etc.; Z is hydrogen, etc.; Ar is phenyl, etc.; and n is 1 or 2 and or m is 1 or 2, excluding compounds where n is 2 and m is 2 simultaneously. Also provided is a pharmaceutical composition comprising a compound of formula [1] or a pharmaceutically acceptable salt thereof as an active ingredient. The composition is usable as an agent for the prevention or treatment of depression, panic disorder, anxiety, obsessive-compulsive disorder, chronic pain, fibromyalgia, obesity, stress urinary incontinence, and overactive bladder.

  本发明涉及一种由公式[1]表示的化合物或其药学上可接受的盐： 在公式[1]中，X和Y中的一个是CH，另一个是氧或硫；R是氢等；Z是氢等；Ar是苯等；n为1或2，m为1或2，但不包括n和m同时为2的化合物。还提供了一种药物组合物，其包含公式[1]的化合物或其药学上可接受的盐作为活性成分。该组合物可用作预防或治疗抑郁症、惊恐障碍、焦虑症、强迫症、慢性疼痛、纤维肌痛、肥胖症、压力性尿失禁和过度活动膀胱的药剂。
• [EN] 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE<br/>[FR] PHENYLSULFAMIDES DISUBSTITUEES EN POSITIONS 3,4 ET LEUR UTILISATION THERAPEUTIQUE
  申请人：CHIROSCIENCE LIMITED

  公开号：WO1996036595A1

  公开（公告）日：1996-11-21

  (EN) 3,4-Disubstituted benzenesulphonamides of general formula (i), in which R3 represents arylalkyl, heteroarylalkyl, heterocycloalkyl, COR7, S(O)mR7, optionally substituted C1-6 alkyl, R4 represents arylalkyl, heteroarylalkyl or heterocycloalkyl, and the other substituents are as defined in Claim 1, have therapeutic utility via phosphodiesterase IV inhibition.(FR) L'invention concerne des benzénésulfamides disubstituées en positions 3,4 présentant la formule générale (i) dans laquelle R3 représente arylalkyle, hétéroarylalkyle, hétérocycloalkyle, COR7, S(O)mR7, alkyle C1-6 éventuellement substitué, R4 représente arylalkyle, hétéroarylalkyle ou hétérocycloalkyle et les autres substituents sont tels que définis dans la revendication 1, et peuvent être utilisés comme agents thérapeutiques par inhibition de la phosphodiestérase IV.

  (benzené sulfamides de substitution bivariée en positions 3 et 4 de générale formule (I), dans laquelle R3 représente aryl-alkyl, hétéroaryl-alkyl ou hétérocyclo-alkyl, COR7, S(O)mR7, un alkyl C1-6 éventuellement remplacé, R4 représente aryl-alkyl, hétéroaryl-alkyl ou hétérocyclo-alkyl, et les autres substituents sont tels que d\'éfinis dans la revendication 1, et qui peuvent \(être utilisés comme des agents thérapeutiques par inhibition de la ) waterzec负债酶 phosphate IV.
• Neue N-Triazolylmethyl-Piperazinderivate als Neurokininrezeptor-Antagonisten
  申请人：Solvay Pharmaceuticals GmbH

  公开号：EP1176144B1

  公开（公告）日：2003-07-09
• An efficient one-pot synthesis of 3-aminohydantoin and 3-aminodihydrouracil derivatives
  作者：Shengde Wu、John M Janusz、James B Sheffer

  DOI：10.1016/s0040-4039(99)02286-8

  日期：2000.2

  An efficient one-pot synthesis of 3-aminohydantoin and 3-aminodihydrouracil derivatives is described. This methodology provides a simple, straightforward and versatile synthetic route to these interesting classes of heterocycles. (C) 2000 Elsevier Science Ltd. All rights reserved.