2,5-二甲氧基-3-四氢呋喃缩醛 | 50634-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢呋喃
• 中文名称: 2,5-二甲氧基-3-四氢呋喃缩醛
• 中文别名: 2,4-二羟基苯腈；2,5-二甲氧基-3-四氢呋喃羧醛
• 英文名称: 2,5-dimethoxy-3-formyltetrahydrofuran
• 英文别名: 2,5-dimethoxy-3-tetrahydrofurancarboxaldehyde；2,5-dimethoxyoxolane-3-carbaldehyde
• CAS: 50634-05-4
• 化学式: C₇H₁₂O₄
• mdl: MFCD00010283
• 分子量: 160.17
• InChiKey: QMIGEDXMDGEZSR-UHFFFAOYSA-N

物化性质

• 沸点：
  89 °C12 mm Hg(lit.)
• 密度：
  1.129 g/mL at 25 °C(lit.)
• 闪点：
  178 °F
• 稳定性/保质期：
  如果按照规定使用和储存，就不会分解，也没有已知的危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36,S37,S39
• 危险类别码：
  R20/21/22
• 海关编码：
  2932190090
• 危险标志：
  GHS07
• 危险性描述：
  H302 + H312 + H332,H315,H319,H335
• 危险性防范说明：
  P261,P280,P305 + P351 + P338
• 储存条件：
  请将贮藏器保持密封，并存放在阴凉、干燥处。同时，确保工作环境中具有良好通风或排气设施。

SDS

Name:	2 5-Dimethoxy-3-tetrahydrofurancarboxaldehyde mixture of isomers Material Safety Data Sheet
Synonym:	None Known
CAS:	50634-05-4

Section 1 - Chemical Product MSDS Name:2 5-Dimethoxy-3-tetrahydrofurancarboxaldehyde mixture of isomers Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
50634-05-4	2,5-Dimethoxy-3-tetrahydrofurancarboxa	90%	256-668-0

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. May cause chemical conjunctivitis.
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. Can produce delayed pulmonary edema.
Chronic:
No information found.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. Combustible liquid and vapor.
Extinguishing Media:
Use water spray to cool fire-exposed containers. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep away from heat and flame.
Storage:
Keep away from sources of ignition. 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# 50634-05-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: clear yellow brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 89 deg C @ 12 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 81 deg C ( 177.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.129
Molecular Formula: C7H12O4
Molecular Weight: 160.17

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 50634-05-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,5-Dimethoxy-3-tetrahydrofurancarboxaldehyde - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 50634-05-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 50634-05-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50634-05-4 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：

  2,5-二甲氧基-3-四氢呋喃缩醛 在 sodium hydride 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.5h， 生成 ethyl (E)-3-[1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]prop-2-enoate
  参考文献：
  名称：

  Synthesis of (E)-3-(1H-Pyrrol-3-yl)prop-2-ene Derivatives Using Organo­phosphorous Reagents

  摘要：

  描述了通过Horner-Wadsworth-Emmons（HWE）反应从1-(toluen-4-sulfonyl)-1H-pyrrole-3-carbaldehyde合成(E)-3-[1-(toluen-4-sulfonyl)-1H-pyrrol-3-yl]prop-2-ene衍生物。然而，使用二乙基亚甲基甲氧基磷酸盐和二乙基(2-甲氧基乙氧基)甲基磷酸盐进行HWE反应却得到了不同的产物，即二乙基{1-甲氧基（或甲氧基乙氧基）-2-[1-(toluen-4-sulfonyl)-1H-pyrrol-3-yl]乙烯}磷酸盐。(E)-3-[1-(toluen-4-sulfonyl)-1H-pyrrol-3-yl]prop-2-ene可以很容易地水解为(E)-3-(1H-pyrrol-3-yl)prop-2-ene，其中两个是天然产物。

  DOI：

  10.1055/s-2006-926426
• 作为产物：
  描述：

  2,5-二甲氧基-2,5-二氢呋喃 、 一氧化碳 在 三(三苯基膦)羰基氢化铑 氢气 作用下， 以 苯 为溶剂， 60.0 ℃ 、6.08 MPa 条件下， 反应 0.5h， 生成 2,5-二甲氧基-3-四氢呋喃缩醛
  参考文献：
  名称：

  Liquid-phase hydroformylation of 2,3- and 2,5-dihydrofurans

  摘要：

  DOI：

  10.1007/bf01168088

文献信息

• [EN] OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS<br/>[FR] DERIVES D'OXAZOLIDINONE UTILISES COMME AGENTS ANTIMICROBIENS
  申请人：RANBAXY LAB LTD

  公开号：WO2006038100A1

  公开（公告）日：2006-04-13

  The present invention relates to certain substituted phenyl oxazolidinones and to processes for the synthesis of the same. This invention also relates to pharmaceutical compositions containing the compounds of the present invention as antimicrobials. The compounds are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria, for example, multiple-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms, for example, Bacterioides spp. and Clostridia spp. species, and acid fast organisms, for example, Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  本发明涉及某些取代苯基噁唑烷酮以及其合成方法。本发明还涉及含有本发明化合物作为抗微生物药物的药物组合物。这些化合物是有用的抗微生物剂，对多种人类和兽医病原体有效，包括革兰氏阳性厌氧细菌，例如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧生物，例如Bacterioides属和Clostridia属物种，以及耐酸生物，例如结核分枝杆菌、埃维分枝杆菌和分枝杆菌属。
• [EN] QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS<br/>[FR] QUINAZOLINES UTILISEES COMME MODULATEURS DE CANAUX IONIQUES
  申请人：VERTEX PHARMA

  公开号：WO2004078733A1

  公开（公告）日：2004-09-16

  The present invention relates to quinazoline compounds of formula (I) useful as inhibitors of voltage-gated sodium channels and calcium channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders. or a pharmaceutically acceptable derivative thereof, wherein R1, X, R3, x, and ring A are as defined in the present application.

  本发明涉及式（I）的喹唑啉化合物，其作为电压门控钠通道和钙通道的抑制剂。该发明还提供了包括本发明化合物的药学上可接受的组合物，以及使用这些组合物治疗各种疾病的方法。或其药学上可接受的衍生物，其中R1、X、R3、x和环A如本申请中所定义。
• [EN] FUSED HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSES HETEROCYCLIQUES CONDENSES
  申请人：TULARIK INC

  公开号：WO2004043958A1

  公开（公告）日：2004-05-27

  Compounds, compositions and methods are provided that are useful in the treatment and/or prevention of a condition or disorder mediated by a G-protein coupled receptor. In particular, the compounds of the invention are useful in the treatment and/or prevention of eating disorders, obesity, anxiety disorders and mood disorders.

  提供了一种在治疗和/或预防由G蛋白偶联受体介导的疾病或紊乱方面有用的化合物、组合物和方法。特别是，本发明的化合物在治疗和/或预防进食紊乱、肥胖、焦虑症和情绪障碍方面是有用的。
• Gamma-hydroxy-2-(fluoroalkylaminocarbonyl)-1-piperazinepentanamides and uses thereof
  申请人：Merck & Co., Inc.

  公开号：US06642237B1

  公开（公告）日：2003-11-04

  &ggr;-Hydroxy-2-(fluoroalkylaminocarbonyl)-1-piperazinepentanamide compounds are inhibitors of HIV protease and inhibitors of HIV replication. These compounds are useful in the prevention or treatment of infection by HV and the treatment of AIDS, either as compounds, pharmaceutically acceptable salts, pharmaceutical composition ingredients, whether or not in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described. These compounds are effective against HIV viral mutants which are resistant to HIV protease inhibitors currently used for treating AIDS and HIV infection.

  -Hydroxy-2-(氟烷基氨基甲酰)-1-哌嗪戊二酰胺化合物是HIV蛋白酶的抑制剂，也是HIV复制的抑制剂。这些化合物在预防或治疗HV感染以及治疗艾滋病方面非常有用，无论是作为化合物、药学上可接受的盐、药物组成成分，还是与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还描述了治疗艾滋病的方法以及预防或治疗HIV感染的方法。这些化合物对目前用于治疗艾滋病和HIV感染的HIV蛋白酶抑制剂产生耐药性的HIV病毒突变体具有有效作用。
• 6-O-acyl ketolide antibacterials
  申请人：——

  公开号：US20030220272A1

  公开（公告）日：2003-11-27

  6-O-Acyl ketolide antibacterials of the formula: 1 wherein R 1 , R 2 , R 3 , R 4 , W, X, X′, Y, and Y′ are as described herein and in which the substituents have the meaning indicated in the description. These compounds are useful as antibacterial agents.

  其中R1、R2、R3、R4、W、X、X'、Y和Y'如本文所述，并且其中取代基具有描述中指示的含义。这些化合物可用作抗菌剂。