6,7,8,9-四氢二苯并[B,D]呋喃-2-胺 | 38084-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 6,7,8,9-四氢二苯并[B,D]呋喃-2-胺
• 中文别名: 6,7,8,9-四氢二苯并呋喃-2-胺
• 英文名称: 6,7,8,9-tetrahydrodibenzo[β,δ]furan-2-amine
• 英文别名: 6,7,8,9-tetrahydrodibenzo [b,d]furan-2-amine；6,7,8,9-tetrahydrodibenzo[b,d]furan-2-amine；6,7,8,9-tetrahydro-dibenzofuran-2-ylamine；2,3-Tetramethylen-5-amino-benzofuran；6,7,8,9-tetrahydrodibenzofuran-2-amine
• CAS: 38084-44-5
• 化学式: C₁₂H₁₃NO
• mdl: MFCD03767365
• 分子量: 187.241
• InChiKey: HCNLIGSQZDOOGG-UHFFFAOYSA-N

物化性质

• 熔点：
  73-73
• 沸点：
  355.9±37.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  39.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2932999099

SDS

Name:	6 7 8 9-Tetrahydrodibenzo[b d]furan-2-amine Material Safety Data Sheet
Synonym:	None Known
CAS:	38084-44-5

Section 1 - Chemical Product MSDS Name:6 7 8 9-Tetrahydrodibenzo[b d]furan-2-amine Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
38084-44-5	6,7,8,9-Tetrahydrodibenzo[b,d]furan-2-	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. May cause chemical conjunctivitis.
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:
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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 38084-44-5: 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: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 73-74 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: C12H13NO
Molecular Weight: 187.24

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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:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, amines, acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 38084-44-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6,7,8,9-Tetrahydrodibenzo[b,d]furan-2-amine - 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 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
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# 38084-44-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 38084-44-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 38084-44-5 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：

  6,7,8,9-四氢二苯并[B,D]呋喃-2-胺 、 叔丁基异氰酸酯 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 4.5h， 生成 1-tert-butyl-3-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-urea
  参考文献：
  名称：

  BENZOFURANS AS POTASSIUM ION CHANNEL MODULATORS

  摘要：

  本发明涉及以下化合物的化学式I：这些化合物是钾通道调节剂及其药物组合物。本发明进一步涉及使用这些化合物和本发明的药物组合物进行治疗的方法。本发明还进一步涉及用于生产本发明化合物的合成过程。

  公开号：

  US20080027049A1
• 作为产物：
  描述：

  Ethyl 1-[5-(dimethylsulfamoylamino)-2-hydroxyphenyl]-2-oxocyclohexane-1-carboxylate 在 盐酸 、 氨 作用下， 以 1,4-二氧六环 、 水 、 溶剂黄146 为溶剂， 反应 14.5h， 生成 6,7,8,9-四氢二苯并[B,D]呋喃-2-胺
  参考文献：
  名称：

  BENZOFURANS AS POTASSIUM ION CHANNEL MODULATORS

  摘要：

  本发明涉及以下化合物的化学式I：这些化合物是钾通道调节剂及其药物组合物。本发明进一步涉及使用这些化合物和本发明的药物组合物进行治疗的方法。本发明还进一步涉及用于生产本发明化合物的合成过程。

  公开号：

  US20080027049A1

文献信息

• Enantioselective Organocatalytic Reductive Amination
  作者：R. Ian Storer、Diane E. Carrera、Yike Ni、David W. C. MacMillan

  DOI：10.1021/ja057222n

  日期：2006.1.1

  The first enantioselective organocatalytic reductive amination reaction has been accomplished. The development of a new chiral phosphoric acid catalyst has provided a convenient strategy for the enantioselective construction of protected primary amines and provided a highly stereoselective method for the reductive amination of heterocyclic amines. A diverse spectrum of ketone and amine substrates can

  第一个对映选择性有机催化还原胺化反应已经完成。新型手性磷酸催化剂的开发为受保护伯胺的对映选择性构建提供了一种方便的策略，并为杂环胺的还原胺化提供了一种高度立体选择性的方法。可以以高产率和出色的对映选择性容纳各种不同的酮和胺底物。这种新协议实现了还原胺化与亚胺还原的关键优势，因为从烷基-烷基酮衍生的酮亚胺对分离不稳定，使用这种直接有机催化还原胺化可以全面绕过这一基本限制。
• [EN] MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES<br/>[FR] MOLÉCULES ET COMPOSITIONS INHIBANT DES BACTÉRIES À GRAM NÉGATIF, ET LEURS UTILISATIONS
  申请人：UNIV PRINCETON

  公开号：WO2015042363A1

  公开（公告）日：2015-03-26

  Antivirulence strategies to combat Pseudomonas aeruginosa, are described. One strategy encompasses synthesis of a series of compounds that inhibit the production of pyocyanin, a redox-active virulence factor produced by this pathogen. A related strategy encompasses synthesis of compounds that inhibit the two P. aeruginosa quorum-sensing receptors, LasR and RhlR, inhibit production of pyocyanin, and inhibit biofilm formation.

  防毒力策略用于对抗铜绿假单胞菌，其中一种策略包括合成一系列化合物，抑制该病原体产生的一种氧化还原活性毒力因子——吡菌素。另一种相关策略包括合成抑制两种铜绿假单胞菌群体感应受体LasR和RhlR的化合物，抑制吡菌素的产生，并抑制生物膜形成。
• Benzofurans as potassium ion channel modulators
  申请人：Wyeth

  公开号：US07601856B2

  公开（公告）日：2009-10-13

  The present invention is directed to compounds of Formula I: that are potassium channel modulators and pharmaceutical compositions thereof. The present invention is further directed to methods of treatment using the compounds and pharmaceutical compositions of the invention. The present invention is still further directed to synthetic processes for producing the compounds of the invention.

  本发明涉及式I的化合物：它们是钾通道调节剂及其制药组合物。本发明还涉及使用该化合物和制药组合物进行治疗的方法。本发明还进一步涉及合成该化合物的合成方法。
• Phthalazinone inhibitors of inosine-5′-monophosphate dehydrogenase from Cryptosporidium parvum
  作者：Corey R. Johnson、Suresh Kumar Gorla、Mandapati Kavitha、Minjia Zhang、Xiaoping Liu、Boris Striepen、Jan R. Mead、Gregory D. Cuny、Lizbeth Hedstrom

  DOI：10.1016/j.bmcl.2012.12.037

  日期：2013.2

  Cryptosporidium parvum (Cp) is a potential biowarfare agent and major cause of diarrhea and malnutrition. This protozoan parasite relies on inosine 5'-monophosphate dehydrogenase (IMPDH) for the production of guanine nucleotides. A CpIMPDH-selective N-aryl-3,4-dihydro-3-methyl-4-oxo-1-phthalazineacetamide inhibitor was previously identified in a high throughput screening campaign. Herein we report a structure-activity relationship study for the phthalazinone-based series that resulted in the discovery of benzofuranamide analogs that exhibit low nanomolar inhibition of CpIMPDH. In addition, the antiparasitic activity of select analogs in a Toxoplasma gondii model of C parvum infection is also presented. (C) 2012 Elsevier Ltd. All rights reserved.
• Development of Potent Inhibitors of Pyocyanin Production in <i>Pseudomonas aeruginosa</i>
  作者：Laura C. Miller、Colleen T. O’Loughlin、Zinan Zhang、Albert Siryaporn、Justin E. Silpe、Bonnie L. Bassler、Martin F. Semmelhack

  DOI：10.1021/jm5015082

  日期：2015.2.12

  The development of new approaches for the treatment of antimicrobial-resistant infections is an urgent public health priority. The Pseudomonas aeruginosa pathogen, in particular, is a leading source of infection in hospital settings, with few available treatment options. In the context of an effort to develop antivirulence strategies to combat bacterial infection, we identified a series of highly effective small molecules that inhibit the production of pyocyanin, a redox-active virulence factor produced by P. aeruginosa. Interestingly, these new antagonists appear to suppress P. aeruginosa virulence factor production through a pathway that is independent of LasR and RhlR.