5’-氨基-2,2’:3’,2’’-呋喃-4’-甲腈 | 24386-17-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 5’-氨基-2,2’:3’,2’’-呋喃-4’-甲腈
• 中文别名: 5'-氨基-2,2':3',2''-呋喃-4'-甲腈；2-氨基-3-氰基-4,5-二(呋喃基)呋喃
• 英文名称: 2-amino-4,5-di-(2-furanyl)-furan-3-carbonitrile
• 英文别名: 2-amino-4,5-bis(2-furyl)furan-3-carbonitrile；2-amino-4,5-di-(2-furyl)furan-3-carbonitrile；2-amino-3-cyano-4,5-di(furyl)furane；5'-amino-[2,2';3',2'']terfuran-4'-carbonitrile；2-Amino-3-cyano-4,5-bis-(2-furyl)-furan；2-Amino-3-cyano-4,5-bis(2-furyl)furan；2-Amino-3-cyano-4,5-di(fur-2-yl)furan；2-amino-4,5-bis(furan-2-yl)furan-3-carbonitrile
• CAS: 24386-17-2
• 化学式: C₁₃H₈N₂O₃
• mdl: MFCD00099027
• 分子量: 240.218
• InChiKey: RDQSOEAGWZLHBE-UHFFFAOYSA-N

物化性质

• 熔点：
  183-185°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi,Xn
• 海关编码：
  2932190090

SDS

Name:	2-Amino-3-cyano-4 5-di(fur-2-yl)furan 97% Material Safety Data Sheet
Synonym:
CAS:	24386-17-2

Section 1 - Chemical Product MSDS Name:2-Amino-3-cyano-4 5-di(fur-2-yl)furan 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
24386-17-2	2-Amino-3-cyano-4,5-di(fur-2-yl)furan	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause 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:

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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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24386-17-2: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 183 - 185 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: C13H8N2O3
Molecular Weight: 240

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24386-17-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-3-cyano-4,5-di(fur-2-yl)furan - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 24386-17-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24386-17-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24386-17-2 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：

  5’-氨基-2,2’:3’,2’’-呋喃-4’-甲腈 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 13.0h， 生成 5,6-di-(2-furyl)-3H-4H-4-imino-2-methylfuro[2,3-d]pyrimidine-3-amino
  参考文献：
  名称：

  Furo[3,2-e][1,2,4]三唑并[1,5-c]嘧啶和Furo[2`,3`：5,6]-嘧啶并[3,4-b][2]的合成,3-e]吲哚[1,2,4]三嗪作为一种新的环系

  摘要：

  2-氨基-4,5-二-(2-呋喃基)呋喃-3-甲腈(1)与原乙酸三乙酯反应得到相应的2-乙氧基亚胺衍生物(2)。后一种化合物分别与苯肼、对氟苄胺和硫化氢钠反应，得到相应的呋喃[2,3-d]嘧啶衍生物(3-5)。化合物1也与二硫化碳和异氰酸苯酯反应得到5,6-二-(2-呋喃基)-1H-4H-呋喃[2,3-d]-[1,3-噻嗪]-4-亚氨基-2 -硫酮 (6) 和 5,6-二-(2-呋喃基)-1H-3H-3-苯基呋喃[2,3-d]嘧啶-4-亚胺-2-one (7)，分别。在 0°C 下用水合肼处理化合物 2 得到化合物 8，同时沸腾 5,6-二-(2-呋喃基)-3H,4H-4-亚氨基-2-甲基呋喃-[2,3-d]嘧啶-3分离出-胺(9)。用二硫化碳、溴化氰、氰乙酸乙酯处理9，草酸二乙酯和原甲酸三乙酯得到相应的呋喃[3,2-e][1,2,4]三唑并[1,5-c]嘧啶(10-14)。9与靛红和N-

  DOI：

  10.3390/50600826
• 作为产物：
  描述：

  丙二腈 、 2,2'-联糠醛 在 二乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 以67%的产率得到5’-氨基-2,2’:3’,2’’-呋喃-4’-甲腈
  参考文献：
  名称：

  新型呋喃嘧啶极光激酶A抑制剂的鉴定，SAR研究和X射线共晶体分析

  摘要：

  本文中，我们揭示了一种通过内部化合物库的亚结构搜索来鉴定新的Aurora激酶A抑制剂的简单方法，以选择要测试的化合物。赋予Aurora激酶活性的片段和激酶抑制剂中最常报告的杂环用作子结构查询，以在测试前过滤内部化合物库的馆藏。五个新的系列的极光激酶抑制剂是通过这种策略识别与IC 50个值范围为约300Ñ中号至〜15μ中号，通过从~125 000化合物数据库仅测试133的化合物。最有效的化合物呋喃并嘧啶衍生物与IC的结构活性关系研究和X射线共晶体分析50的309的n值中号朝向极光激酶A，进行了。通过这些研究获得的知识可能有助于将来设计有效的Aurora激酶抑制剂。

  DOI：

  10.1002/cmdc.200900339

文献信息

• A facile synthesis of some substituted furopyrimidine derivatives
  作者：Jung In Pyo、So Ha Lee、Chan Seong Cheong

  DOI：10.1002/jhet.5570430449

  日期：2006.7

  Some substituted furopyrimidine derivatives are prepared in high yield in 4 steps, starting from the reaction of furoin (1,2-di(furan-2-yl)-2-hydroxyethanone) and malonitrile.

  从呋喃酮（1,2-二（呋喃-2-基）-2-羟基乙酮）与丙二腈的反应开始，分4步高收率地制备了一些取代的呋喃嘧啶衍生物。
• Photoinitiated Cascade for Rapid Access to Pyrroloquinazolinone Core of Vasicinone, Luotonins, and Related Alkaloids
  作者：D. Sai Reddy、Andrei G. Kutateladze

  DOI：10.1021/acs.orglett.9b00858

  日期：2019.4.19

  Furylimines of aromatic o-nitro aldehydes undergo a photoinduced cascade transformation offering rapid atom- and step-economical access to complex polyheterocyclic scaffolds possessing a privileged pyrroloquinazolinone core.

  芳香族邻硝基醛的呋喃类化合物经过光诱导的级联转变，可快速，经济地以复杂的步骤进入具有专有吡咯并喹唑啉酮核心的复杂多杂环支架。
• Molecules, compositions and methods for modulation of SIRT6
  申请人：SirTLab Corporation

  公开号：US10857170B1

  公开（公告）日：2020-12-08

  A SIRT6 activating molecule as shown in Tables 1-3 or a compound according to a pharmacophore as described herein.

  如表 1-3 所示的 SIRT6 激活分子或符合本文所述药理作用的化合物。
• Prousek, Josef; Jurasek, Adolf; Kovac, Jaroslav, Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 5, p. 1581 - 1588
  作者：Prousek, Josef、Jurasek, Adolf、Kovac, Jaroslav

  DOI：——

  日期：——
• Sharanin,Yu.A. et al., Journal of Organic Chemistry USSR (English Translation), 1967, vol. 3, p. 1938 - 1945
  作者：Sharanin,Yu.A. et al.

  DOI：——

  日期：——