1-茚酮肟 | 3349-60-8

• 物质功能分类: 化学试剂 - 有机试剂 - 肟
• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 1-茚酮肟
• 中文别名: 1E-茚满-1-酮肟；1-茚满酮肟
• 英文名称: indan-1-one oxime
• 英文别名: 1-indanone oxime；indanone oxime；2,3-dihydro-1H-inden-1-one oxime；N-(2,3-dihydroinden-1-ylidene)hydroxylamine
• CAS: 3349-60-8
• 化学式: C₉H₉NO
• mdl: MFCD00219007
• 分子量: 147.177
• InChiKey: ATEGUFMEFAGONB-UHFFFAOYSA-N

物化性质

• 熔点：
  147-150 °C(lit.)
• 沸点：
  300℃
• 密度：
  1.20
• 闪点：
  180℃
• 稳定性/保质期：
  如果遵照规格使用和储存则不会分解，未有已知危险发生。应避免强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• WGK Germany：
  3
• 海关编码：
  2928000090
• 储存条件：
  请将药品存放在密闭、阴凉干燥的地方保存。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-Indanone oxime
CAS-No. : 3349-60-8
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
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
Caution - substance not yet tested completely.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C9H9NO
Molecular Weight : 147,17 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
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
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
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
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 uses
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
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. 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: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 147 - 150 °C
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) Autoignition 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
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
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: Not available

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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.
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：

  1-茚酮肟 在 Candida antarctica lipase B 、 三乙醇胺 、 palladium 10% on activated carbon 、 Pd/AlO(OH) 、 氢气 、 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 异丙醇 、 甲苯 、 乙腈 为溶剂， 反应 34.75h， 生成 甲磺酸雷沙吉兰
  参考文献：
  名称：

  化学动力学动态拆分合成雷沙吉兰的新方法

  摘要：

  以南极假丝酵母脂肪酶B（CALB）和Pd纳米催化剂为催化剂，以动态动力学拆分（DKR）为关键步骤，提出了制备雷沙吉兰甲磺酸雷沙吉兰的新方法。通过外消旋氨基茚满rac -1的DKR获得手性中间体（R）-2，3-二氢-1-茚满胺，产率高（＞ 90％），对映选择性优异（ee＞ 99％）。该过程可以在200克/升的73克规模下进行。甲磺酸雷沙吉兰在7个步骤中以25％的总收率和出色的对映选择性（99.9％ee）合成。

  DOI：

  10.1021/op500152g
• 作为产物：
  描述：

  1-茚酮 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 1-茚酮肟
  参考文献：
  名称：

  空气和水分稳定的可存储手性氧化Ox配合物的合成及其在对映选择性亚胺还原反应中的催化剂应用

  摘要：

  合成了空气/水分稳定，晶体和可储存的手性水杨基恶唑啉基氧化（V）配合物，并公开了其在氢化硅烷作为氢化物源的情况下催化不对称还原酮亚胺的催化应用。获得了广泛的底物范围，高收率和出色的对映选择性（最高99％）。此外，对映体纯α-氨基酯，γ-和δ-内酰胺以及异吲哚啉酮的合成也已使用该方法进行。最后，该方法已应用于具有药物相关性的合成靶标，例如R -（+）-沙丁胺碱和R -（+）-crispine A.

  DOI：

  10.1002/chem.201501914

文献信息

• PHOTOSENSITIVE RESIN COMPOSITION, OXIME SULFONATE COMPOUND, METHOD FOR FORMING CURED FILM, CURED FILM, ORGANIC EL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：FUJIFILM Corporation

  公开号：US20130171415A1

  公开（公告）日：2013-07-04

  Disclosed is a photosensitive resin composition comprising: (Component A) an oxime sulfonate compound represented by Formula (1); (Component B) a resin comprising a constituent unit having an acid-decomposable group that is decomposed by an acid to form a carboxyl group or a phenolic hydroxy group; and (Component C) a solvent wherein in Formula (1) R 1 denotes an alkyl group, an aryl group, or a heteroaryl group, each R 2 independently denotes a hydrogen atom, an alkyl group, an aryl group, or a halogen atom, Ar 1 denotes an o-arylene group or an o-heteroarylene group, X denotes O or S, and n denotes 1 or 2, provided that of two or more R 2 s present in the compound, at least one denotes an alkyl group, an aryl group, or a halogen atom.

  揭示了一种光敏树脂组合物，包括：（组分A）由式（1）表示的肟磺酸盐化合物；（组分B）包括具有可被酸分解的基团的树脂，该基团通过酸分解形成羧基或酚羟基；和（组分C）溶剂 其中在式（1）中，R1表示烷基、芳基或杂芳基，每个R2独立地表示氢原子、烷基、芳基或卤素原子，Ar1表示邻芳撑基或邻杂芳撑基，X表示O或S，n表示1或2，前提是在化合物中存在两个或两个以上的R2时，至少有一个表示烷基、芳基或卤素原子。
• Natural silk supported manganese dioxide nanostructures: Synthesis and catalytic activity in aerobic oxidation and one-pot tandem oxidative synthesis of organic compounds
  作者：Ahmad Shaabani、Zeinab Hezarkhani、Elham Badali

  DOI：10.1016/j.poly.2016.01.019

  日期：2016.3

  Abstract Manganese dioxide nanostructures were coated on natural silk (MnO2@silk) by simple immersion of the silk fibers into a KMnO4 aqueous solution. The silk was found to act as a in situ reducing agent and substrate in aqueous KMnO4 solution for the heterogeneous production of MnO2 nanostructures. The structure of synthesized catalyst was characterized by X-ray diffraction (XRD), flame atomic absorption

  摘要通过将蚕丝纤维简单浸入KMnO4水溶液中，将二氧化锰纳米结构涂覆在天然蚕丝（MnO2 @ silk）上。发现该丝充当KMnO4水溶液中的原位还原剂和底物，用于异质生产MnO2纳米结构。通过X射线衍射（XRD），火焰原子吸收光谱法（FAAS），热重分析（TGA），扫描电子显微镜（SEM）和能量色散光谱（EDS）分析对合成催化剂的结构进行了表征。在有氧氧化烷基芳烃，醇，
• Enantioselective Borohydride Reduction Catalyzed by Optically Active Cobalt Complexes
  作者：Tohru Yamada、Takushi Nagata、Kiyoaki D. Sugi、Kiyotaka Yorozu、Taketo Ikeno、Yuhki Ohtsuka、Daichi Miyazaki、Teruaki Mukaiyama

  DOI：10.1002/chem.200304794

  日期：2003.9.22

  enantioselective borohydride reduction of aromatic ketones or imines to the corresponding alcohols was developed in the presence of a catalytic amount of an optically active cobalt(II) complex catalyst. This enantioselective reduction is carried out using a precisely premodified borohydride with alcohols such as tetrahydrofurfuryl alcohol, ethanol and methanol. High optical yields are obtained by choosing

  在催化量的光学活性钴（II）络合物催化剂的存在下，芳香族酮或亚胺对映体的高度对映选择性硼氢化物还原。该对映选择性还原是使用精确预改性的硼氢化物与醇（例如四氢糠醇，乙醇和甲醇）进行的。通过选择合适的醇作为改性剂和合适的催化剂β-酮亚氨基配体，可以获得高的光学收率。对映选择性硼氢化物还原已成功应用于光学活性的1,3-二醇的制备，双酰基二茂铁的立体选择性还原以及1,3-二羰基化合物的动态和/或动力学拆分。
• A Facile and Practical Synthesis of <i>N</i>-Acetyl Enamides
  作者：Wenjun Tang、Andrew Capacci、Max Sarvestani、Xudong Wei、Nathan K. Yee、Chris H. Senanayake

  DOI：10.1021/jo902259u

  日期：2009.12.18

  A facile and practical method for the synthesis of N-acetyl α-arylenamides has been developed from corresponding ketoximes as the starting materials with ferrous acetate as the reducing reagent. This methodology offers mild reaction conditions, simple purification procedures, and high yields for a variety of N-acetyl enamides.

  从相应的酮肟开始，以乙酸亚铁为还原剂，开发了一种简便实用的合成N-乙酰基α-芳基酰胺的方法。该方法为各种N-乙酰基酰胺提供了温和的反应条件，简单的纯化程序以及高收率。
• Enantioselective Strecker Reaction of Phosphinoyl Ketoimines Catalyzed by in Situ Prepared Chiral <i>N</i>,<i>N</i>‘-Dioxides
  作者：Jinglun Huang、Xiaohua Liu、Yuehong Wen、Bo Qin、Xiaoming Feng

  DOI：10.1021/jo062006y

  日期：2007.1.1

  The enantioselective Strecker reaction of N-diphenylphosphinoyl ketoimines has been achieved by use of in situ prepared chiral N,N‘-dioxide catalyst from l-piperidinamide 3f and m-chloroperoxybenzoic acid (m-CPBA). Excellent yields (up to 99%) and high enantioselectivities (up to 92% ee) were obtained. In particular, in situ prepared catalyst with readily available chiral material made the procedure

  的对映选择性的Strecker反应Ñ -diphenylphosphinoyl酮亚胺已经通过使用原位制备的手性实现Ñ，ñ ' -从氧化钛催化剂升-piperidinamide 3F和中号氯过氧苯甲酸（米-CPBA）。获得了极好的收率（高达99％）和高的对映选择性（高达92％ee）。特别地，具有容易获得的手性材料的原位制备的催化剂使该过程更方便。此外，l-哌啶酰胺3f衍生的N，N'-二氧化物9 可以循环使用至少五次，而不会损失催化活性或对映选择性。