2-(二乙氧基甲基)噻吩 | 13959-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 2-(二乙氧基甲基)噻吩
• 中文别名: 2-（二乙氧基）-噻吩；2-(二乙氧基)-噻吩
• 英文名称: 2-thiophenealdehyde diethyl acetal
• 英文别名: 2-thiophenecarboxaldehyde diethyl acetal；2-(Diethoxymethyl)thiophene
• CAS: 13959-97-2
• 化学式: C₉H₁₄O₂S
• mdl: MFCD11109382
• 分子量: 186.275
• InChiKey: XAGPTGMAMGKKTF-UHFFFAOYSA-N

物化性质

• 沸点：
  96-98 °C(Press: 14 Torr)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  46.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 储存条件：
  室温

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Thiophene-2-Carboxaldehyde Diethylacetal
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
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
The product does not need to be labelled in accordance with EC directives or respective national laws.
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 : 186,27 g/mol
No components need to be disclosed according to the applicable regulations.

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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. 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 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
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).
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
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：

  2-(二乙氧基甲基)噻吩 在 正丁基锂 、 硼酸三异丙酯 、 水 、 溶剂黄146 作用下， 以 乙二醇二甲醚 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  取代的双（杂芳基）马来酰亚胺的合成

  摘要：

  描述了具有潜在抗糖尿病特性的取代的双（呋喃-2-基），双（呋喃-3-基）和双（噻吩-2-基）马来酰亚胺。作为关键步骤，它们的合成涉及各种硼衍生物与二碘亚胺之间的铃木交叉偶联。因此，可以制备各种取代的对称和非对称马来酰亚胺衍生物。

  DOI：

  10.1016/j.tet.2005.03.016
• 作为产物：
  描述：

  2-噻吩甲醛 生成 2-(二乙氧基甲基)噻吩
  参考文献：
  名称：

  DAWSON, M. I.;CHAN, R. L. S.

  摘要：

  DOI：

文献信息

• Nickel(0)-Catalyzed Hydroalkenylation of Imines with Styrene and Its Derivatives
  作者：Li-Jun Xiao、Chao-Yue Zhao、Lei Cheng、Bo-Ya Feng、Wei-Min Feng、Jian-Hua Xie、Xiu-Fang Xu、Qi-Lin Zhou

  DOI：10.1002/anie.201713333

  日期：2018.3.19

  A nickel(0)‐catalyzed hydroalkenylation of imines with styrene and its derivatives is described. A wide range of aromatic and aliphatic imines directly coupled with styrene and its derivatives, thus providing various synthetically useful allylic amines with up to 95 % yield. The reaction offers a new atom‐ and step‐economical approach to allylic amines by using alkenes instead of alkenyl‐metallic reagents

  本文介绍了镍（0）催化亚胺与苯乙烯及其衍生物的加氢烯基化反应。各种芳族和脂族亚胺直接与苯乙烯及其衍生物偶联，因此可提供高达95％的收率的各种合成有用的烯丙基胺。通过使用烯烃代替烯基金属试剂，该反应为烯丙基胺提供了一种新的原子经济和分步经济的方法。实验和DFT计算表明，TsNH 2促进了质子从配位烯烃向亚胺的转移，同时形成了新的CC键。
• Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines
  申请人：Timmers Cornelis Marius

  公开号：US20110028450A1

  公开（公告）日：2011-02-03

  The invention relates to ring-annulated dihydropyrrolo[2,1-a]isoquinoline compounds according to general Formula I or a pharmaceutically acceptable salt thereof. The compounds can be used for the treatment of infertility.

  这项发明涉及符合通用式I的环融合二氢吡咯并[2,1-a]异喹啉化合物或其药用可接受的盐。这些化合物可用于治疗不孕症。
• Development of a novel Brønsted acid UiO-66 metal–organic framework catalyst by postsynthetic modification and its application in catalysis
  作者：Zongcheng Miao、Chao Qi、Allison M. Wensley、Yi Luan

  DOI：10.1039/c6ra14365b

  日期：——

  A novel Bronsted acid derived metal-organic framework (MOF) has been developed to serve as an efficient heterogeneous catalyst for the acetalization and Morita-Baylis-Hillman reaction. Aromatic sulfonic acid groups were successfully...

  已开发出一种新型的布朗斯台德酸衍生的金属有机骨架（MOF），作为乙缩醛化和Morita-Baylis-Hillman反应的有效多相催化剂。芳族磺酸基团成功地...
• Development of a SO ₃ H‐Functionalized UiO‐66 Metal–Organic Framework by Postsynthetic Modification and Studies of Its Catalytic Activities
  作者：Yi Luan、Nannan Zheng、Yue Qi、Jie Yu、Ge Wang

  DOI：10.1002/ejic.201402509

  日期：2014.9

  A novel metal–organic framework UiO-66-NH2-derived Bronsted acid catalyst was synthesized on a gram scale by employing a postsynthetic modification strategy under mild conditions. The nanomorphology of the catalyst was designed and developed to enhance its catalytic performance. Acetalization and benzimidazole formation were evaluated to demonstrate the high reactivity and selectivity of the nanoscaled

  通过在温和条件下采用合成后改性策略，以克规模合成了一种新型金属有机骨架 UiO-66-NH2 衍生的布朗斯台德酸催化剂。催化剂的纳米形态被设计和开发以提高其催化性能。对缩醛化和苯并咪唑的形成进行了评估，以证明纳米级 UiO-66-NH-RSO3H 催化剂的高反应性和选择性，发现其与强均相布朗斯台德酸催化剂的反应性和选择性相当。此外，UiO-66-NH-RSO3H 催化剂在不影响产率和选择性的情况下可以循环多次。
• Naphthenic and heterocyclic retinoic acid analogues
  申请人：SRI International

  公开号：US04456618A1

  公开（公告）日：1984-06-26

  Naphthenic and heterocyclic retinoic acid analogues such as (E)-6-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-2-naphthaldehyde, methyl 6-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-2-naphthoate, 6-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-2-naphthoic acid, (E)-1-(5-carbethoxy-2-furanyl)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1- yl)-1,3-butadiene, (E)-1-(5-carboxy-2-furanyl)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl) -1,3-butadiene, (E)-1-(5-carbethoxythien-2-yl)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1- yl)-1,3-butadiene, and (E)-1-(5-carboxythien-2-yl)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl) -1,3-butadiene. These retinoids are useful as chemopreventive agents for inhibiting tumor promotion in epithelial cells and for treating nonmalignant skin disorders.

  环烷和杂环维甲酸类似物，如(E)-6-[2-(2,6,6-三甲基-1-环己烯-1-基)乙烯基]-2-萘醛，甲基6-[2-(2,6,6-三甲基-1-环己烯-1-基)乙烯基]-2-萘酸甲酯，6-[2-(2,6,6-三甲基-1-环己烯-1-基)乙烯基]-2-萘甲酸，(E)-1-(5-羧乙氧基-2-呋喃基)-2-甲基-4-(2,6,6-三甲基-1-环己烯-1-基)-1,3-丁二烯，(E)-1-(5-羧基-2-呋喃基)-2-甲基-4-(2,6,6-三甲基-1-环己烯-1-基)-1,3-丁二烯，(E)-1-(5-羧乙氧基噻吩-2-基)-2-甲基-4-(2,6,6-三甲基-1-环己烯-1-基)-1,3-丁二烯，以及(E)-1-(5-羧基噻吩-2-基)-2-甲基-4-(2,6,6-三甲基-1-环己烯-1-基)-1,3-丁二烯。这些视黄醇类化合物可用作抑制上皮细胞中的肿瘤促进剂和治疗非恶性皮肤疾病的化学预防剂。