3-氨基-2-甲氧基二苯并呋喃 | 5834-17-3

• 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 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 3-氨基-2-甲氧基二苯并呋喃
• 中文别名: 2-甲氧基-3-二苯并呋喃胺
• 英文名称: 3-amino-2-methoxydibenzofuran
• 英文别名: 2-methoxydibenzo[b,d]furan-3-amine；2-methoxy-3-aminodibenzofuran；2-methoxydibenzofuran-3-amine
• CAS: 5834-17-3
• 化学式: C₁₃H₁₁NO₂
• mdl: MFCD00011554
• 分子量: 213.236
• InChiKey: SGQVWNYSHWQNOS-UHFFFAOYSA-N

物化性质

• 熔点：
  92-94 °C(lit.)
• 沸点：
  353.22°C (rough estimate)
• 密度：
  1.1544 (rough estimate)
• 稳定性/保质期：
  避免强氧化剂、强碱和酸。

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  48.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• RTECS号：
  HP4900000
• 海关编码：
  2932999099
• 安全说明：
  S26,S37/39
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338
• 储存条件：
  请将药品存放在密闭、阴凉干燥处保存。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 3-Amino-2-methoxydibenzofuran
CAS-No. : 5834-17-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S37/39 Wear suitable gloves and eye/face protection.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C13H11NO2
Molecular Weight : 213,23 g/mol
Component Concentration
3-Amino-2-methoxydibenzofuran
CAS-No. 5834-17-3 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: tan
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 92 - 94 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents, Strong acids
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: HP4900000

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine Pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  3-氨基-2-甲氧基二苯并呋喃 在 盐酸 、 硫酸 、 氢溴酸 、 溶剂黄146 、 sodium nitrite 作用下， 生成 2-羟基二苯并呋喃-3-羧酸
  参考文献：
  名称：

  Moualim; Venkataraman, Journal Of Scientific and Industrial Research, 1945, vol. 3, p. 447,450

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲氧基-二苯并呋喃 在 盐酸 、 硝酸 、 溶剂黄146 、 tin(ll) chloride 作用下， 生成 3-氨基-2-甲氧基二苯并呋喃
  参考文献：
  名称：

  Dibenzofuran. XXIV. Some Dialkylaminoalkylamino Derivatives¹

  摘要：

  DOI：

  10.1021/ja01208a014

文献信息

• Substituted &bgr;-amino acid inhibitors of methionine aminopeptidase-2
  申请人：Abbott Laboratories

  公开号：US06242494B1

  公开（公告）日：2001-06-05

  A class of substituted b-amino acids are potent inhibitor of methionine aminopeptidase type 2 (MetAP2) and are thus useful in inhibiting angiogenesis and disease conditions which depend upon angiogenesis for their development such as diabetic retinopathy, tumor growth, and conditions of inflammation. Pharmaceutical compounds containing the compounds and methods of inhibiting methionine aminopeptidase-2, and angiogenesis are also disclosed.

  一类取代的β-氨基酸是对蛋氨酸氨基肽酶2（MetAP2）的强效抑制剂，因此在抑制依赖血管生成发展的疾病状况（如糖尿病视网膜病变、肿瘤生长和炎症状况）方面非常有用。还披露了包含这些化合物的药物化合物以及抑制蛋氨酸氨基肽酶-2和血管生成的方法。
• Platelet Aggregation Inhibiting and Anticoagulant Effects of Oligoamines, XVIII: Oligoamines with Fluorescent Properties, Part B: Fluorophores in the Molecular Periphery
  作者：K. Rehse、T. Seidel

  DOI：10.1002/ardp.19943270611

  日期：——

  Seventeen N,N′‐benzene‐1,3‐dimethane and nine N,N′,N″‐benzene‐1,3,5‐trimethane derivatives with fluorescent properties have been synthesized. Three of them show antiplatelet activities (inducer collagen, IC50 Born‐test) in concentrations < 10 μmol/L. They are suitable for interaction studies with biological macromolecules and synthetical and biological membranes. Structure activity relationships demonstrate

  已经合成了 17 种具有荧光特性的 N, N' - 苯 - 1,3 - 二甲烷和九种 N, N ', N ' - 苯 - 1,3,5 - 三甲烷衍生物。其中三个在 <10 μmol / L 的浓度下显示出抗血小板活性（诱导剂胶原蛋白，IC50 Born 测试）。它们适用于与生物大分子以及合成和生物膜的相互作用研究。构效关系表明杂多环荧光团，即喹啉、二苯并呋喃或咔唑是实现此目的的有利替代品。
• 3-(Dipropylamino)-5-hydroxybenzofuro[2,3-f]quinazolin-1(2H)-one (DPA-HBFQ-1) plays an inhibitory role on breast cancer cell growth and progression
  作者：Pietro Rizza、Michele Pellegrino、Anna Caruso、Domenico Iacopetta、Maria Stefania Sinicropi、Sylvain Rault、Jean Charles Lancelot、Hussein El-Kashef、Aurelien Lesnard、Christophe Rochais、Patrick Dallemagne、Carmela Saturnino、Francesca Giordano、Stefania Catalano、Sebastiano Andò

  DOI：10.1016/j.ejmech.2015.11.004

  日期：2016.1

  3-(dipropylamino)-5-methoxybenzofuro[2,3-f] quinazolin-1(2H)-one (13), we prepared 3-(dipropylamino)-5-hydroxybenzofuro[2,3-f]quinazolin-1(2H)-one (18), referred to as DPA-HBFQ-1. The cytotoxic activities of all the synthesized compounds, tested in different human breast cancer cell lines, revealed that DPA-HBFQ-1 was the most active compound. In particular, the latter was able to inhibit anchorage-dependent

  合成了一系列未知的3-（烷基（二烷基）氨基）苯并呋喃[2,3-f]喹唑啉-1（2H）-酮4-17作为新的玫瑰树碱类似物，其中咔唑部分和吡啶环为分别被二苯并呋喃残基和嘧啶环取代。使用3-氨基二苯并呋喃或其2-甲氧基衍生物作为起始原料，通过简单的一锅反应进行这些苯并呋喃喹唑啉酮4-17的合成。由3-（二丙基氨基）-5-甲氧基苯并呋喃[2,3-f]喹唑啉-1（2H）-one（13），我们制备了3-（二丙基氨基）-5-羟基苯并呋喃[2,3-f]喹唑啉-1 （2H）-一（18），称为DPA-HBFQ-1。在不同的人类乳腺癌细胞系中测试的所有合成化合物的细胞毒活性表明，DPA-HBFQ-1是活性最高的化合物。特别是，后者能够抑制锚定依赖性和非依赖性细胞生长，并诱导雌激素受体α（ERα）阳性和阴性乳腺癌细胞凋亡。它不影响MCF-10A正常乳腺上皮细胞的增殖和凋亡反应。观察到的效果归因于以p53依赖的方式抑制肿瘤并增强了p21（Cip1
• [EN] ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF<br/>[FR] DERIVES D'ARYLAMINOMETHYL-PROPENYL-BENZHYDROXYAMIDE PRESENTANT UNE ACTIVITE INHIBITRICE CONTRE L'HISTONE DEACETYLASE, ET METHODE DE PREPARATION DESDITS DERIVES
  申请人：KOREA RES INST CHEM TECH

  公开号：WO2006025683A1

  公开（公告）日：2006-03-09

  This invention discloses a novel arylaminomethyl propenyl benzhydroxyamide derivative of formula (I) useful for preventing or treating various diseases induced by histone deacetylase, a method for preparing same and a pharmaceutical composition comprising same.

  这项发明揭示了一种新颖的芳基氨甲基丙烯基苯基羟基酰胺衍生物，其化学式为(I)，用于预防或治疗由组蛋白去乙酰化酶诱导的各种疾病，以及制备该衍生物的方法和包含该衍生物的药物组合物。
• [EN] REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO<br/>[FR] CATALYSEURS DE COUPLAGE DE DÉSHYDRATATION RÉDOX ET PROCÉDÉS ASSOCIÉS À CEUX-CI
  申请人：UNIV EMORY

  公开号：WO2017070157A1

  公开（公告）日：2017-04-27

  This disclosure relates to synthetic coupling methods using catalytic molecules. In certain embodiments, the catalytic molecules comprise heterocyclic thiolamide, S-acylthiosalicylamide, disulfide, selenium containing heterocycle, diselenide compound, ditelluride compound or tellurium containing heterocycle. Catalytic molecules disclosed herein are useful as catalysts in the transformation of hydroxy group containing compounds to amides, esters, ketones, and other carbon to heteroatom or carbon to carbon transformations.

  这份披露涉及使用催化分子的合成偶联方法。在某些实施例中，这些催化分子包括杂环硫酰胺、S-酰基硫代水杨酰胺、二硫化物、含硒杂环、二硒化合物、二碲化合物或含碲杂环。本文披露的催化分子可用作催化剂，用于将含羟基化合物转化为酰胺、酯、酮和其他碳到杂原子或碳到碳的转化过程中。

表征谱图