3-乙基-3-环氧乙烷羧酸 | 28562-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环丁烷
• 中文名称: 3-乙基-3-环氧乙烷羧酸
• 中文别名: 3-乙基-3-氧杂环丁烷羧酸
• 英文名称: 3-ethyloxetane-3-carboxylic acid
• CAS: 28562-61-0
• 化学式: C₆H₁₀O₃
• mdl: MFCD12024538
• 分子量: 130.144
• InChiKey: MVJXOACCRTZVJY-UHFFFAOYSA-N

物化性质

• 熔点：
  25℃
• 沸点：
  237℃
• 密度：
  1.180
• 闪点：
  100℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 3-Ethyloxetane-3-Carboxylic Acid
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
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
Acute toxicity, Oral (Category 4), H302
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn Harmful R22
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 130,14 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
3-Ethyloxetane-3-Carboxylic Acid
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
3-Ethyloxetane-3-Carboxylic Acid
Xn, R22 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
Flush eyes with water as a precaution.
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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting 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 vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
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.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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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
Complete suit protecting against chemicals, 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).
Control of environmental exposure
Do not let product enter drains.

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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 No data available
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
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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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 sensitisation
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
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
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. 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
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
H302 Harmful if swallowed.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
Further information
Copyright 2014 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-乙基-3-环氧乙烷羧酸 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 38.0h， 生成 (2S)-2-[(3-ethyloxetane-3-carbonyl)amino]propanoic acid
  参考文献：
  名称：

  通过含氧杂环丁烷基和羧基的单体的自聚加成反应合成基于氨基酸的新型聚合物

  摘要：

  开发了一种新的合成策略，用于在主链中包含氨基酸的聚合物。单体Ñ -oxetanylalanine（Ñ -Oxe-ALA-COOH），Ñ -oxetanylglutamic酸（Ñ -Oxe-GLU-COOH），和Ñ -oxetanyllysine（Ñ同时含有氧杂环丁烷基和羧基基团-Oxe赖氨酸-COOH）的合成，并通过这些单体的自加聚和自共聚得到了主链中含有氨基酸的相应聚合物[聚（Ox Ala），聚（Ox Lys），聚（Ox Glu），聚（Ox Ala- co - Ox Glu ），聚（Ox Glu‐共-牛赖氨酸），和聚（牛ALA-共-牛赖氨酸）]与分子量在920-6620的范围内，在令人满意的产率。物理性质，例如溶解度，玻璃化转变温度和热稳定性，与链末端的羧基数量一致。通过生化需氧量法检查了聚合物的生物降解性；聚的分解率（牛ALA）和聚（牛ALA-共-牛谷氨酸）为约60％，而聚（牛谷氨酸）在28天后为接近100％。©2011

  DOI：

  10.1002/pola.25053
• 作为产物：
  描述：

  3-乙基-3-氧杂丁环甲醇 在 Jones reagent 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以86%的产率得到3-乙基-3-环氧乙烷羧酸
  参考文献：
  名称：

  通过含氧杂环丁烷基和羧基的单体的自聚加成反应合成基于氨基酸的新型聚合物

  摘要：

  开发了一种新的合成策略，用于在主链中包含氨基酸的聚合物。单体Ñ -oxetanylalanine（Ñ -Oxe-ALA-COOH），Ñ -oxetanylglutamic酸（Ñ -Oxe-GLU-COOH），和Ñ -oxetanyllysine（Ñ同时含有氧杂环丁烷基和羧基基团-Oxe赖氨酸-COOH）的合成，并通过这些单体的自加聚和自共聚得到了主链中含有氨基酸的相应聚合物[聚（Ox Ala），聚（Ox Lys），聚（Ox Glu），聚（Ox Ala- co - Ox Glu ），聚（Ox Glu‐共-牛赖氨酸），和聚（牛ALA-共-牛赖氨酸）]与分子量在920-6620的范围内，在令人满意的产率。物理性质，例如溶解度，玻璃化转变温度和热稳定性，与链末端的羧基数量一致。通过生化需氧量法检查了聚合物的生物降解性；聚的分解率（牛ALA）和聚（牛ALA-共-牛谷氨酸）为约60％，而聚（牛谷氨酸）在28天后为接近100％。©2011

  DOI：

  10.1002/pola.25053

文献信息

• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20170015655A1

  公开（公告）日：2017-01-19

  The present invention provide a heterocyclic compound having a HDAC inhibitory action, and useful for the treatment of autoimmune diseases and/or inflammatory diseases, graft versus host disease, cancers, central nervous diseases including neurodegenerative diseases, Charcot-Marie-Tooth disease and the like, and a pharmaceutical composition comprising the compound. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供一种具有HDAC抑制作用的杂环化合物，用于治疗自身免疫疾病和/或炎症性疾病、移植物抗宿主病、癌症、包括神经退行性疾病、沙科-玛丽-图特病等在内的中枢神经疾病，以及包含该化合物的药物组合物。本发明涉及一种由下式（I）表示的化合物： 其中每个符号如规范中定义，或其盐。
• [EN] SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B<br/>[FR] SULFAMOYL-ARYLAMIDES ET LEUR UTILISATION EN TANT QUE MÉDICAMENTS DANS LE TRAITEMENT DE L'HÉPATITE B
  申请人：JANSSEN R & D IRELAND

  公开号：WO2014033170A1

  公开（公告）日：2014-03-06

  Inhibitors of HBV replication of Formula (I) including stereochemically isomeric forms, and salts, hydrates, solvates thereof, wherein B, R1, R2 and R4 have the meaning as defined herein. The present invention also relates to pharmaceutical compositions containing these inhibitors and to their use, alone or in combination with other HBV inhibitors, in HBV therapy.

  乙肝病毒复制抑制剂，包括式(I)及其立体异构体、盐、水合物、溶剂化物，其中B、R1、R2和R4的含义如本文所述。本发明还涉及包含这些抑制剂的药物组合物及其用途，单独使用或与其他乙肝病毒抑制剂联合使用，用于乙肝治疗。
• 新規オキセタン化合物及びそのポリマー
  申请人：国立大学法人山口大学

  公开号：JP2015205849A

  公开（公告）日：2015-11-19

  【課題】二次電池用の固体電解質として使用可能な伝導性の高いポリマー及びその原料のモノマーを提供すること。【解決手段】式（１）で表されるオキセタン化合物、及び該化合物を重合させたポリマーを含む固体電解質。［Ｒ１はＣ１〜６のアルキル基；Ｒ２はＣ１〜４のアルキレン基；Ｒ３〜Ｒ５は各々独立して、Ｈ、Ｃ１〜１０のアルキル基、又は式（２）で表される末端にニトリル基を有する基（Ｒ６は、エーテル（−Ｏ−）、スルフィド（−Ｓ−）及びアミン（−ＮＨ−）から選択される基を１又は２以上含んでもよいＣ１〜１０のアルキレン基、波線は炭素原子に対する共有結合）ただし、Ｒ３〜Ｒ５の少なくとも一つは式（２）で表される末端にニトリル基を有する基］【選択図】なし

  提供可用于固体电解质的高导电性聚合物及其单体的课题。固体电解质包括由式（1）表示的氧杂环化合物和由该化合物聚合而成的聚合物。[R1为C1-6的烷基；R2为C1-4的亚烷基；R3-R5分别独立地为H、C1-10的烷基，或具有末端具有腈基的基（R6为醚（-O-）、硫醚（-S-）和胺（-NH-）中选择的基，可以包含1个或2个以上的C1-10的亚烷基，波浪线表示与碳原子的共价键）但是，R3-R5中至少有一个基具有末端具有腈基的基，如式（2）所示]【无选图】
• [EN] ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS<br/>[FR] COMPOSÉS URÉE HÉTÉROCYCLIQUES SUBSTITUÉS PAR AMIDE ET SULFONAMIDE ANTIBACTÉRIENS
  申请人：REPLIDYNE INC

  公开号：WO2009015208A1

  公开（公告）日：2009-01-29

  The present invention provides novel amide and sulfonamide substituted heterocyclic urea compounds having useful antibacterial activity. Use of these compounds as pharmaceutical compositions and method of their production are also provided.

  本发明提供了具有有用抗菌活性的新型酰胺和磺胺基取代的杂环脲化合物。同时还提供了将这些化合物用作药物组合物以及它们的生产方法。
• Direct Conversion of Carboxylic Acids to Alkyl Ketones
  作者：Javad Amani、Gary A. Molander

  DOI：10.1021/acs.orglett.7b01588

  日期：2017.7.7

  efficient and mild method for acyl–Csp3 bond formation based on the direct conversion of carboxylic acids has been established. This protocol is enabled by the synergistic, Ir-photoredox/nickel catalytic cross-coupling of in situ activated carboxylic acids and alkyltrifluoroborates. This versatile method is amenable to the cross-coupling of structurally diverse carboxylic acids with various potassium

  建立了基于羧酸直接转化的有效且温和的酰基-C sp3键形成方法。通过原位活化的羧酸和三氟硼酸烷基酯的Ir-光氧化还原/镍催化交叉偶联，可以实现该方案。这种通用的方法适合于结构多样的羧酸与各种烷基三氟硼酸钾的交叉偶联，从而以高收率提供相应的酮。在这种操作简单的交叉偶联方案中，一步法从稳定，易于获得的羧酸中获得脂肪族酮。