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反-2,4-二甲氧基肉桂酸 | 16909-09-4

中文名称
反-2,4-二甲氧基肉桂酸
中文别名
(E)-3-(2,4-二甲氧基苯基)丙烯酸;反式-2,4-二甲氧基肉桂酸
英文名称
(E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid
英文别名
trans-2,4-dimethoxycinnamic acid;(E)-3-(2,4-dimethoxyphenyl)acrylic acid;(E)-2,4-dimethoxycinnamic acid;2,4-dimethoxycinnamic acid;3-(2,4-dimethoxyphenyl)acrylic acid;(E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
反-2,4-二甲氧基肉桂酸化学式
CAS
16909-09-4
化学式
C11H12O4
mdl
MFCD00016837
分子量
208.214
InChiKey
YIKHDPHTFYWYJV-GQCTYLIASA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    192-194 °C(lit.)
  • 沸点:
    384℃
  • 密度:
    1.203
  • 闪点:
    152℃
  • 保留指数:
    1962.9
  • 稳定性/保质期:

    按规定使用不会分解,避免氧化剂。

计算性质

  • 辛醇/水分配系数(LogP):
    1.8
  • 重原子数:
    15
  • 可旋转键数:
    4
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.181
  • 拓扑面积:
    55.8
  • 氢给体数:
    1
  • 氢受体数:
    4

安全信息

  • WGK Germany:
    3
  • 海关编码:
    2918990090
  • 储存条件:
    请将药品存放在密闭、阴凉、干燥的地方。

SDS

SDS:fc1c6818d612cc956b7c9ec431ed44c2
查看

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : trans-2,4-Dimethoxycinnamic acid
CAS-No. : 16909-09-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances



Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C11H12O4
Molecular Weight : 208,21 g/mol

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

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
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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.

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

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).

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: 192 - 194 °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) 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

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

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

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

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.

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

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

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.

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2

反应信息

点击查看最新优质反应信息

文献信息

  • Copper catalyzed cross-coupling reactions of carboxylic acids: an expedient route to amides, 5-substituted γ-lactams and α-acyloxy esters
    作者:S. Priyadarshini、P. J. Amal Joseph、M. Lakshmi Kantam
    DOI:10.1039/c3ra41000e
    日期:——
    A convenient and recyclable catalytic protocol for the synthesis of N,N-dimethyl substituted amides, 5-substituted γ-lactams and α-acyloxy ethers from carboxylic acids using CuO nanoparticles and TBHP is described.
    描述了使用CuO纳米颗粒和TBHP羧酸合成N,N-二甲基取代的酰胺,5-取代的γ-内酰胺和α-酰氧基醚的方便且可回收的催化方案。
  • Formal Homo-Nazarov and Other Cyclization Reactions of Activated Cyclopropanes
    作者:Filippo De Simone、Tanguy Saget、Fides Benfatti、Sofia Almeida、Jérôme Waser
    DOI:10.1002/chem.201102583
    日期:2011.12.16
    Replacing one of the vinyl groups by a cyclopropane leads to a formal homo‐Nazarov process for the synthesis of cyclohexenones. In contrast to the Nazarov reaction, the cyclization of vinylcyclopropyl ketones is a stepwise process, often requiring harsh conditions. Herein, we describe two different approaches for further polarization of the three‐membered ring of vinylcyclopropyl ketones to allow the
    纳扎罗夫对二乙烯基酮的环化作用可得到环戊烯酮。用环丙烷取代乙烯基之一会导致形成正式的正己-纳扎罗夫合成环己烯酮的过程。与纳扎罗夫反应相反,乙烯基环丙基酮的环化是一个逐步过程,通常需要苛刻的条件。本文中,我们描述了两种不同的方法,可进一步极化乙烯基-环丙基酮的三元环,从而在温和的催化条件下进行正式的均一纳扎罗夫反应。在第一种方法中,将酯基α引入到环丙烷的羰基上,反应速率提高了十倍以上,这使我们可以将反应范围扩展到β位置的非电子富芳基供体取代基环丙烷上的羰基。在这种情况下,使用手性路易斯酸催化剂可以实现不对称诱导的原理证明。在第二种方法中,将杂原子(尤其是氮)引入β到环丙烷的羰基上。在这种情况下,当乙烯基吲哚杂环取代时,反应特别成功。对于游离吲哚,使用催化剂观察到了吲哚C3位置的正式均一纳扎罗夫环化反应。相反,使用布朗斯台德酸催化剂观察到在N1位置发生了新的环化反应。两种反应均用于天然生物
  • Substituted cinnamic anhydrides act as selective inhibitors of acetylcholinesterase
    作者:Josephine M. Gießel、Immo Serbian、Anne Loesche、René Csuk
    DOI:10.1016/j.bioorg.2019.103058
    日期:2019.9
    Cinnamic anhydrides have been shown to be more than reactive reagents, but they also act as inhibitors of the enzyme acetylcholinesterease (AChE). Thus, out of a set of 33 synthesised derivatives, several of them were mixed type inhibitors for AChE (from electric eel). Thus, (E)-3-(2,4-dimethoxyphenyl)acrylic anhydride (2c) showed Ki = 8.30 ± 0.94 µM and Ki' = 9.54 ± 0.38 µM, and for (E)-3-(3-chlorophenyl)acrylic
    肉桂酸酐已被证明比反应性试剂更重要,但它们也可作为乙酰胆碱酯酶(AChE)的抑制剂。因此,在一组33种合成衍生物中,其中几种是AChE的混合型抑制剂(来自鳗鱼)。因此,对于(E)-3-(3-氯苯基)丙烯酸,(E)-3-(2,4-二甲氧基苯基)丙烯酸酐(2c)的Ki = 8.30±0.94μM,Ki’= 9.54±0.38μM。酸酐(2u)的Ki = 8.23±0.93 µM,Ki'= 13.07±0.46 µM。这些化合物虽然对许多人类细胞系无细胞毒性,但它们对AChE却表现出前所未有的且值得注意的抑制作用,但对丁酰胆碱酯酶(BChE)却没有。
  • Design, synthesis and biological evaluation of (E)-5-styryl-1,2,4-oxadiazoles as anti-tubercular agents
    作者:Abhay Atmaram Upare、Pradip K. Gadekar、H. Sivaramakrishnan、Nishigandha Naik、Vijay M. Khedkar、Dhiman Sarkar、Amit Choudhari、S. Mohana Roopan
    DOI:10.1016/j.bioorg.2019.01.054
    日期:2019.5
    Cinnamic acid and its derivatives are known for anti-tubercular activity. The present study reports the synthesis of cinnamic acid derivatives via bioisosteric replacement of terminal carboxylic acid with "oxadiazole". A series of cinnamic acid derivatives (styryl oxadiazoles) were designed and synthesized in good yields by reaction of substituted cinnamic acids (2, 15a-15s) with amidoximes. The synthesized
    肉桂酸及其衍生物具有抗结核活性。本研究报道了通过用“恶二唑”对末端羧酸进行生物等位取代来合成肉桂酸生物。通过取代肉桂酸(2,15a-15s)与a的反应,设计并合成了一系列肉桂酸生物苯乙烯基恶二唑),并以高收率合成。体外评估了合成的苯乙烯基恶二唑类药物对结核分枝杆菌(Mtb)H37Ra菌株的抗结核活性。结构-活性关系(SAR)研究确定了几种具有混合抗结核特性的化合物。化合物32显示出有效的抗结核活性(IC50 = 0.045 µg / mL)。
  • Amino acid derivatives as HIV aspartyl protease inhibitors
    申请人:Pharmacor Inc.
    公开号:US06455587B1
    公开(公告)日:2002-09-24
    The present invention relates to a class of amino acid derivatives with HIV aspartyl protease inhibitory properties.
    本发明涉及一类具有HIV天冬氨酸蛋白酶抑制性能的氨基酸生物
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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cnmr
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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