1-(2-甲氧苯基)-1-丙醇 | 7452-01-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-甲氧苯基)-1-丙醇
• 中文别名: 1-(2-甲氧基苯)-1-丙醇
• 英文名称: 1-(o-methoxyphenyl)-1-propanol
• 英文别名: 1-(2-methoxyphenyl)-1-propanol；1-(2-methoxyphenyl)propan-1-ol；1-(2-methoxy-phenyl)-propanol
• CAS: 7452-01-9
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: VZYLWUFNOMSQSJ-UHFFFAOYSA-N

物化性质

• 沸点：
  259-260 °C (lit.)
• 密度：
  1.032 g/mL at 25 °C (lit.)
• 闪点：
  >230 °F
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险发生。应避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 储存条件：
  密闭、阴凉干燥处保存，并确保良好通风。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 1-(2-Methoxyphenyl)-1-propanol
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.
CAS-No. : 7452-01-9
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 - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : 1-(o-Anisyl)-1-propanol
Formula : C10H14O2
Molecular Weight : 166,22 g/mol
CAS-No. : 7452-01-9
EC-No. : 231-221-2
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
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
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
Carbon oxides
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 breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
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
Normal measures for preventive fire protection.
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. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end use(s)
A part 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
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
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
Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK
(EU EN 14387) 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: liquid
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 259 - 260 °C - lit.
boiling range
g) Flash point no data available
h) Evapouration 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 1,032 g/cm3 at 25 °C
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
Other decomposition products - no data available
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

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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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(2-甲氧苯基)-1-丙醇 在 potassium hydrogensulfate 作用下， 生成 Formic acid 1-(2-methoxy-phenyl)-propyl ester
  参考文献：
  名称：

  质子溶剂通过开链烯烃的光化学掺入

  摘要：

  辐照溶解在MeOH，EtOH或AcOH中的甲基苯乙烯基亚砜会诱导溶剂的光化学极性加成，从而提供产物PhCH（OR）CH 2 SOMe，其中R为Me，Et或Ac。副产物是相应的硫化物，PhCH（OR）CH 2 SMe和甲基苯乙烯基硫化物。质子溶剂的类似加合物在某些乙烯基硫化物的辐照产生，甲基苯乙炔基硫化物，为包括以及适当取代propenylbenzenes ö -anethole，ø -anol和ö -propenylaniline在SOLN。

  DOI：

  10.1016/0040-4020(73)80201-7
• 作为产物：
  描述：

  2-(1-propenyl)anisole 在 水 作用下， 以 乙腈 为溶剂， 反应 1.0h， 生成 1-(2-甲氧苯基)-1-丙醇
  参考文献：
  名称：

  Intramolecular proton transfer in photohydration reactions

  摘要：

  DOI：

  10.1021/ja00280a028

文献信息

• Mild and efficient silylation of alcohols and phenols with HMDS using Bi(OTf)3 under solvent-free condition
  作者：Santosh T. Kadam、Sung Soo Kim

  DOI：10.1016/j.jorganchem.2009.04.001

  日期：2009.7

  A very efficient and mild silylation of alcohols and phenols with hexamethyldisilazane (HMDS) at rt is developed using Bi(OTf)3 as the catalyst. Primary, secondary and tertiary alcohols as well as phenols are excellently converted into corresponding TMS ethers in a very short reaction time. This procedure can also be applied to large scale silylation for industrial application.

  使用Bi（OTf）3作为催化剂，在室温下使用六甲基二硅氮烷（HMDS）对醇和酚进行了非常高效和温和的甲硅烷基化反应。伯，仲和叔醇以及苯酚在非常短的反应时间内即可出色地转化为相应的TMS醚。该程序也可用于工业应用的大规模甲硅烷基化。
• New polymer anchored chiral amino oxazolines as effective catalysts for enantioselective addition of diethylzinc to aldehydes
  作者：Nadim S Shaikh、Vishnu H Deshpande、Ashutosh V Bedekar

  DOI：10.1016/s0040-4039(02)01139-5

  日期：2002.8

  The application of a new type of polymer anchored chiral amino-oxazolinyl ligand as catalyst for the enantioselective addition of diethylzinc to aldehydes is reported. The catalyst is effective at a low ligand concentration and can be reused with minimal loss of activity.

  报道了一种新型的聚合物锚定的手性氨基-恶唑啉基配体作为催化剂将二乙基锌对醛进行对映选择性加成的报道。该催化剂在低配体浓度下是有效的，并且可以在活性损失最小的情况下重复使用。
• Electrochemical Aziridination of Internal Alkenes with Primary Amines
  作者：Maksim Ošeka、Gabriele Laudadio、Nicolaas P. van Leest、Marco Dyga、Aloisio de A. Bartolomeu、Lukas J. Gooßen、Bas de Bruin、Kleber T. de Oliveira、Timothy Noël

  DOI：10.1016/j.chempr.2020.12.002

  日期：2021.1

  realizes this concept via an oxidative coupling between alkenes and primary alkylamines. The reaction is carried out in an electrochemical flow reactor leading to short reaction/residence times (5 min), high yields, and broad scope. At the cathode, hydrogen is generated, which can be used in a second reactor to reduce the aziridine, yielding the corresponding hydroaminated product. Mechanistic investigations

  氮丙啶是有用的合成构件，广泛用于制备各种含氮衍生物。由于当前的方法需要使用预官能化的胺，因此开发能够建立烯烃和胺的结合的氮丙啶的合成策略将具有很大的合成价值。在这里，我们报告了一种电化学方法，该方法通过烯烃与伯烷基胺之间的氧化偶联实现了这一概念。该反应在电化学流动反应器中进行，从而缩短了反应/停留时间（5分钟），产率高且适用范围广。在阴极处产生氢，该氢可用于第二反应器中以还原氮丙啶，得到相应的氢化胺化产物。
• Synthesis of New Chiral Aliphatic Amino Diselenides and Their Application as Catalysts for the Enantioselective Addition of Diethylzinc to Aldehydes
  作者：Antonio L. Braga、Marcio W. Paixão、Diogo S. Lüdtke、Claudio C. Silveira、Oscar E. D. Rodrigues

  DOI：10.1021/ol034773e

  日期：2003.7.1

  [reaction: see text] A set of chiral aliphatic amino diselenides have been synthesized from readily available starting materials in a straightforward synthetic route via the ring-opening reaction of the parent aziridines. These ligands have been tested as catalysts for the enantioselective addition of diethylzinc to aldehydes. The influence of the alkyl group substituents on the stereoselectivity has

  [反应：见正文]通过母体氮丙啶的开环反应，以简单的合成路线由容易获得的起始原料合成了一组手性脂肪族氨基二硒化物。这些配体已经作为二乙基锌对醛的对映选择性加成的催化剂进行了测试。已经研究了烷基取代基对立体选择性的影响，并且在最佳情况下，通过仅使用0.5mol％的手性二硒化物3a可以得到高达99％的对映体过量。
• New chiral catalysts for the highly enantioselective addition of diethylzinc to aldehydes
  作者：Myung-Jong Jin、Sum-Jin Ahn、Kyoung-Soo Lee

  DOI：10.1016/s0040-4039(96)02027-8

  日期：1996.11

  Optically active amino thioacetate derivatives of (+)-norephedrine were found to act as effective catalysts for enantioselective addition of diethylzinc to aldehydes. This reaction provided optically active secondary alcohols with e.e. of up to > 99%.

  发现（+）-去氧麻黄碱的旋光氨基硫代乙酸酯衍生物可作为将二乙基锌对醛对映选择性加成的有效催化剂。该反应提供了ee≥99％的光学活性仲醇。

表征谱图