3-呋喃基甲胺 | 4543-47-9

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-呋喃基甲胺
• 中文别名: 3-呋喃甲胺；3-(氨甲基)呋喃
• 英文名称: 3-furylmethylamine
• 英文别名: furan-3-ylmethanamine；3-(aminomethyl) furan；(fur-3-ylmethyl)amine；furan-3-ylmethylamine
• CAS: 4543-47-9
• 化学式: C₅H₇NO
• 分子量: 97.1167
• InChiKey: XNABHFLZYMCJHE-UHFFFAOYSA-N

物化性质

• 沸点：
  52-54°C 15mm
• 密度：
  1.053±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R10
• 海关编码：
  2932190090
• 危险品运输编号：
  UN 2733
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P301+P310,P305+P351+P338
• 危险性描述：
  H301,H319
• 储存条件：
  室温

SDS

Name:	3-Furylmethylamine tech Material Safety Data Sheet
Synonym:	3-Aminomethylfura
CAS:	4543-47-9

Section 1 - Chemical Product MSDS Name:3-Furylmethylamine tech Material Safety Data Sheet
Synonym:3-Aminomethylfura

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4543-47-9	3-Furylmethylamine		unlisted

Hazard Symbols: C
Risk Phrases: 20/21/22 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.Air sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

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.
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.

---

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.

---

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.

---

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. Store under an inert atmosphere.

---

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# 4543-47-9: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 52 - 54 deg C @15mmHg
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: C5H7NO
Molecular Weight: 97

---

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

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4543-47-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Furylmethylamine - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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# 4543-47-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4543-47-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4543-47-9 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

3-呋喃基甲胺主要用作有机和医药中间体。

反应信息

• 作为反应物：
  描述：

  3-呋喃基甲胺 在 三氯化铝 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 4.0h， 生成 N-[[5-[2-[[N'-[2-(2-methoxyphenyl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-3-yl]methyl]acetamide
  参考文献：
  名称：

  Anti-Helicobacter pylori Agents. 3. 2-[(Arylalkyl)guanidino]-4-furylthiazoles

  摘要：

  A series of 2-[(arylalkyl)guanidinol-4-[(5-acetamidomethyl)furan-2-yl]thiazoles and some 4-acetamidomethyl positional isomers were synthesized and evaluated for antimicrobial activity against Helicobacter pylori. Among the compounds that had potent antimicrobial activity (MIC < 0.1 mu g/mL), compounds 31 and 36 additionally possessed H2 antagonist and gastric antisecretory activities. Though compound 51, an analogue incorporating a methyl group onto the furan nucleus of 36, and compound 54, a positional isomer of 51, also showed potent anti-H. pylori activity, the H2 antagonism profile was eliminated from these compounds. Thus, two types of potent anti-H. pylori agents could be derived from the same scaffold.

  DOI：

  10.1021/jm9900671
• 作为产物：
  描述：

  3-糠酸 在 ammonium hydroxide 、 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 7.0h， 生成 3-呋喃基甲胺
  参考文献：
  名称：

  设计和合成基于杂芳基的苯磺酰胺衍生物作为H5N1甲型流感病毒的有效抑制剂†

  摘要：

  甲型流感病毒是一种包膜的负性单链RNA病毒，可引起发热的呼吸道感染，对人类健康乃至全世界的生命都构成了具有临床挑战性的威胁。更令人震惊的是高致病性禽流感（HPAI）菌株（如H5N1）的出现，其在人类感染中的死亡率（60％）比季节性流感菌株高得多。在这项研究中，新的杂芳基苯磺酰胺衍生物系列被确定为M2质子通道抑制剂。对结构-活性关系的系统研究和分子对接研究表明，磺酰胺部分和2,5-二甲基取代的噻吩作为核心结构在抗流感活性中起着重要作用。在衍生物中，化合物11k具有对H5N1病毒的优异抗病毒活性，EC 50值为0.47μM，选择性指数为119.9，与参考药物金刚烷胺相当。

  DOI：

  10.1039/c8md00474a

文献信息

• Design, Synthesis, and Biological Evaluation of New Inhibitors of the Endocannabinoid Uptake:  Comparison with Effects on Fatty Acid Amidohydrolase
  作者：María L. López-Rodríguez、Alma Viso、Silvia Ortega-Gutiérrez、Christopher J. Fowler、Gunnar Tiger、Eva de Lago、Javier Fernández-Ruiz、José A. Ramos

  DOI：10.1021/jm0210818

  日期：2003.4.1

  A new series of arachidonic acid derivatives were synthesized and evaluated as inhibitors of the endocannabinoid uptake. Most of them are able to inhibit anandamide uptake with IC(50) values in the low micromolar range (IC(50) = 0.8-24 microM). In general, the compounds had only weak effects upon CB(1), CB(2), and VR(1) receptors (K(i) > 1000-10000 nM). In addition, there was no obvious relationship

  合成了一系列新的花生四烯酸衍生物，并将其评估为内源性大麻素吸收的抑制剂。它们中的大多数能够以较低的微摩尔范围（IC（50）= 0.8-24 microM）的IC（50）值抑制anandamide的吸收。通常，这些化合物对CB（1），CB（2）和VR（1）受体的作用很小（K（i）> 1000-10000 nM）。此外，化合物通过脂肪酸酰胺水解酶（FAAH； IC（50）= 30-113 microM）影响anandamide摄取和抑制anandamide代谢的能力之间没有明显的关系。这表明该化合物对FAAH抑制没有发挥第二作用。希望这些化合物，尤其是本系列中最有效的化合物（化合物5，UCM707，其对Anandamide的吸收和FAAH的IC（50）值分别为0.8和30 microM），
• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS
  申请人：Carroll William A.

  公开号：US20090018114A1

  公开（公告）日：2009-01-15

  The present application relates to cannabinoid receptor ligands containing compounds of formula (I) wherein A, R 1 , R 2 , and R 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及含有式(I)化合物的大麻素受体配体，其中A、R1、R2和R3如规范中所定义。本申请还涉及包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• HALO-SUBSTITUTED PYRIMIDODIAZEPINES
  申请人：Cai Jianping

  公开号：US20090318408A1

  公开（公告）日：2009-12-24

  The present invention provides PLK1 inhibitor compounds of formula I: useful in the treatment or control of cell proliferative disorders, particularly oncological disorders. These compounds and formulations containing such compounds may be useful in the treatment or control of solid tumors, such as, for example, breast, colon, lung and prostate tumors and other oncological diseases such as non-Hodgkin's lymphomas. Also provided are intermediate compounds useful in the synthesis of compounds of formula I.

  本发明提供了公式I的PLK1抑制剂化合物： 用于治疗或控制细胞增殖性疾病，特别是肿瘤性疾病。这些化合物和含有这些化合物的配方可能在治疗或控制实体肿瘤方面有用，例如乳腺癌、结肠癌、肺癌和前列腺癌等固体肿瘤，以及非霍奇金淋巴瘤等其他肿瘤性疾病。还提供了在合成公式I化合物中有用的中间体化合物。
• Cobalt-based nanoparticles prepared from MOF–carbon templates as efficient hydrogenation catalysts
  作者：Kathiravan Murugesan、Thirusangumurugan Senthamarai、Manzar Sohail、Ahmad S. Alshammari、Marga-Martina Pohl、Matthias Beller、Rajenahally V. Jagadeesh

  DOI：10.1039/c8sc02807a

  日期：——

  resulting nanoparticles create stable and reusable catalysts for selective hydrogenation of functionalized and structurally diverse aromatic, heterocyclic and aliphatic nitriles, and as well as nitro compounds to primary amines (>65 examples). The synthetic and practical utility of this novel non-noble metal-based hydrogenation protocol is demonstrated by upscaling several reactions to multigram-scale

  用于工业相关氢化反应的高效和选择性纳米结构催化剂的开发继续是化学研究的实际目标。尤其是腈和硝基芳烃的氢化对于伯胺的生产非常重要，伯胺构成了高级化学品，生命科学分子和材料的重要原料和关键中间体。在这里，我们报道了石墨烯壳包封的Co 3 O 4的制备-和钴-纳米颗粒通过碳上对苯二甲酸钴对苯二甲酸MOF的模板合成和随后的热解而负载在碳上。所得的纳米颗粒产生稳定且可重复使用的催化剂，用于官能化和结构多样的芳族，杂环和脂肪族腈以及硝基化合物选择性氢化为伯胺（> 65实例）。这种新型的基于非贵金属的氢化方案的合成和实用性通过将数种反应的规模扩大到数克规模并回收催化剂得到了证明。
• Catalytic Enantioselective Michael Addition of α-Aryl-α-Isocyanoacetates to Vinyl Selenone: Synthesis of α,α-Disubstituted α-Amino Acids and (+)- and (−)-Trigonoliimine A
  作者：Thomas Buyck、Qian Wang、Jieping Zhu

  DOI：10.1002/anie.201306663

  日期：2013.11.25

  title reaction in the presence of the catalyst 1 afforded Michael adducts in excellent yields and enantioselectivities. The adducts were readily converted into α,α′‐disubstituted α‐amino acids. The enantioselective total synthesis of both (+)‐ and (−)‐trigonoliimine A was accomplished using one of the Michael adducts derived from this methodology. M.S.=molecular sieves.

  就像迈克：在催化剂1的存在下进行标题反应，可以以出色的收率和对映选择性提供迈克尔加合物。加合物易于转化为α，α'-二取代的α-氨基酸。（+）-和（-）-三角果碱亚胺A的对映选择性全合成是使用衍生自该方法的迈克尔加合物之一完成的。MS ＝分子筛。