甲基-2-三氟甲基-3-呋喃甲胺 | 306935-05-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 甲基-2-三氟甲基-3-呋喃甲胺
• 英文名称: (5-methyl-2-(trifluoromethyl)furan-3-yl)methanamine
• 英文别名: [5-Methyl-2-(trifluoromethyl)-3-furyl]methylamine；[5-methyl-2-(trifluoromethyl)furan-3-yl]methanamine
• CAS: 306935-05-7
• 化学式: C₇H₈F₃NO
• mdl: MFCD02180792
• 分子量: 179.142
• InChiKey: ROYYYTOVBUUPDX-UHFFFAOYSA-N

物化性质

• 沸点：
  48 °C
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  39.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

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

SDS

Name:	[5-Methyl-2-(trifluoromethyl)-3-furyl]methylamine 97% Material Safety Data Sheet
Synonym:
CAS:	306935-05-7

Section 1 - Chemical Product MSDS Name:[5-Methyl-2-(trifluoromethyl)-3-furyl]methylamine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
306935-05-7	[5-Methyl-2-(trifluoromethyl)-3-furyl]	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Air sensitive.Moisture sensitive.
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.
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. Store under nitrogen.

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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# 306935-05-7: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 48 - 50 deg C @3mmHg
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: C7H8F3NO
Molecular Weight: 179

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, moisture, exposure to air, contact with water.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, fluorine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 306935-05-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
[5-Methyl-2-(trifluoromethyl)-3-furyl]methylamine - 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# 306935-05-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 306935-05-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 306935-05-7 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：

  甲基-2-三氟甲基-3-呋喃甲胺 、 4-methyl-2-(4-(benzyloxy)-2-oxopyridin-1(2H)-yl)thiazole-5-carboxylic acid 以the title compound was obtained as a colorless solid in 28% yield的产率得到2-(4-(Benzyloxy)-2-oxopyridin-1(2H)-yl)-4-methyl-N-((5-methyl-2-(trifluoromethyl)furan-3-yl)methyl)thiazole-5-carboxamide
  参考文献：
  名称：

  ORGANIC COMPOUNDS

  摘要：

  本发明提供了能够调节硬脂酰辅酶A脱饱和酶活性的杂环衍生物。本发明还涵盖使用这些衍生物调节硬脂酰辅酶A脱饱和酶活性的方法，以及包含这些衍生物的制药组合物。

  公开号：

  US20090156615A1

文献信息

• Substituted bis-amide metalloprotease inhibitors
  申请人：Sucholeiki Irving

  公开号：US20070155739A1

  公开（公告）日：2007-07-05

  This invention relates to substituted bis-amide pyrimidine compounds of Formula (I), which are useful for the treatment of metalloprotease mediated diseases, in particular MMP-13 related diseases.

  这项发明涉及Formula (I)的取代双酰胺嘧啶化合物，这些化合物对于治疗金属蛋白酶介导的疾病，特别是MMP-13相关疾病是有用的。
• Positional Scanning Synthesis of a Peptoid Library Yields New Inducers of Apoptosis that Target Karyopherins and Tubulin
  作者：Glòria Vendrell-Navarro、Federico Rúa、Jordi Bujons、Andreas Brockmeyer、Petra Janning、Slava Ziegler、Angel Messeguer、Herbert Waldmann

  DOI：10.1002/cbic.201500169

  日期：2015.7.27

  High‐content screening of positional scanning libraries (PS‐SCLs) represents a promising route for the discovery of biologically relevant compounds. Combined with target identification studies, this strategy successfully enabled the discovery of two pro‐apoptotic compounds from a peptoid PS‐SCL. Despite their high structural similarity, they displayed different mechanisms of action.

  位置扫描库（PS-SCL）的高含量筛选是发现生物相关化合物的有前途的途径。结合目标识别研究，该策略成功地从类肽PS-SCL中发现了两种促凋亡化合物。尽管它们的结构相似性很高，但它们显示出不同的作用机理。
• <i>N</i>-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-<i>trans</i>Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity
  作者：Ana Guardia、Gulcin Gulten、Raquel Fernandez、Jesus Gómez、Feng Wang、Maire Convery、Delia Blanco、María Martínez、Esther Pérez-Herrán、Marta Alonso、Fátima Ortega、Joaquín Rullás、David Calvo、Lydia Mata、Robert Young、James C. Sacchettini、Alfonso Mendoza-Losana、Modesto Remuiñán、Lluís Ballell Pages、Julia Castro-Pichel

  DOI：10.1002/cmdc.201600020

  日期：2016.4.5

  carrier protein reductase (InhA) inhibitors based on an N‐benzyl‐4‐((heteroaryl)methyl)benzamide template; unlike INH, these do not require prior activation by KatG. Given their direct InhA target engagement, these compounds should be able to circumvent KatG‐related resistance in the clinic. The lead molecules were shown to be potent inhibitors of InhA and showed activity against M. tuberculosis bacteria

  异烟肼（INH）仍然是结核分枝杆菌药物敏感菌株抗结核化疗的基石之一。然而，在KatG酶中含有突变的多药耐药（MDR）和广泛耐药（XDR）菌株的流行正在增加，这导致INH活化为其抗结核形式，这使这种药物很少或根本没有使用在许多耐药结核病例中。本文介绍的是基于N的抗结核性直接依赖NADH的2-反式烯酰-酰基载体蛋白还原酶（InhA）抑制剂的新家族-苄基-4-（（杂芳基）甲基）苯甲酰胺模板; 与INH不同，这些不需要KatG预先激活。鉴于它们直接参与了InhA靶标的结合，因此这些化合物应能够在临床中规避与KatG相关的耐药性。铅分子被证明是InhA的有效抑制剂，并表现出抗结核分枝杆菌的活性。发现这种新的抑制剂家族具有化学易处理性，例如类似物的简便合成和构效关系的建立就是例证。此外，还揭示了该酶最初命中的共晶体结构，为设计用于治疗MDR / XDR结核病的新型InhA抑制剂提供了有价值的信息。
• Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor
  申请人：——

  公开号：US20040157865A1

  公开（公告）日：2004-08-12

  This invention is directed to vanilloid receptor VR1 ligands. More particularly, this invention relates to naphthol, quinoline and isoquinoline-derived ureas that are potent antagonists or agonists of VR1 which are useful for the treatment and prevention of inflammatory and other pain conditions in mammals.

  本发明涉及辣椒素受体VR1配体。更具体地说，本发明涉及萘酚，喹啉和异喹啉衍生的脲类化合物，它们是VR1的有效拮抗剂或激动剂，对哺乳动物的炎症和其他疼痛症状的治疗和预防有用。
• POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF
  申请人：Glinka Tomasz

  公开号：US20100152098A1

  公开（公告）日：2010-06-17

  Disclosed are compounds having polybasic functionalities. The compounds inhibit bacterial efflux pump inhibitors and are used in combination with an anti-bacterial agent to treat or prevent bacterial infections. These combinations can be effective against bacterial infections that have developed resistance to anti-bacterial agents through an efflux pump mechanism.

  本发明涉及具有多元功能的化合物。这些化合物可以抑制细菌外排泵抑制剂，并与抗菌剂结合使用，以治疗或预防细菌感染。这些组合物可以有效地对抗通过外排泵机制对抗菌剂产生抗性的细菌感染。