1,1-二苯基-2-丙醇 | 29338-49-6

• 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: 1,1-二苯基-2-丙醇
• 中文别名: 1,1-联苯-2-丙醇
• 英文名称: 1,1-diphenyl-2-propanol
• 英文别名: 1,1-diphenylpropan-2-ol；(+/-)-1.1-Diphenyl-propanol-(2)
• CAS: 29338-49-6
• 化学式: C₁₅H₁₆O
• mdl: MFCD00004524
• 分子量: 212.291
• InChiKey: BDZAWYBXBHTHFM-UHFFFAOYSA-N

物化性质

• 熔点：
  59-62 °C(lit.)
• 沸点：
  312.13°C (rough estimate)
• 密度：
  1.0018 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 安全说明：
  S24/25
• 储存条件：
  存于阴凉干燥处

SDS

Name:	1,1-Diphenyl-2-propanol, 98% Material Safety Data Sheet
Synonym:
CAS:	29338-49-6

Section 1 - Chemical Product MSDS Name: 1,1-Diphenyl-2-propanol, 98% Material Safety Data Sheet
Synonym:

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
29338-49-6	1,1-Diphenyl-2-propanol, 98%	98	249-574-6

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 29338-49-6: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Crystals
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 59.00 - 62.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H16O
Molecular Weight: 212.29

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 29338-49-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,1-Diphenyl-2-propanol, 98% - Not listed by ACGIH, IARC, or NTP.

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SECTION 12 - ECOLOGICAL INFORMATION

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SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.

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SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 29338-49-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 29338-49-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 29338-49-6 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 12/21/1998 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,1-二苯基-2-丙醇 在 氧气 、 1-(tert-butylsulfonyl)-2-iodylbenzene 作用下， 反应 14.0h， 生成 1,1-二苯基丙酮
  参考文献：
  名称：

  有氧生成的Des-Martin高碘素类似物的氧化催化作用

  摘要：

  高价碘试剂（例如Dess-Martin高碘烷（DMP）和2-碘氧苯甲酸（IBX））是化学合成中广泛使用的氧化剂。从双氧（O 2）产生这些试剂的策略的开发将立即使O 2的使用成为可能作为多种底物氧化反应中的末端氧化剂。最近，我们通过截留醛自氧化过程中产生的反应性氧化剂，公开了I（III）试剂的有氧合成。在这项工作中，碘苯的需氧氧化与最初生成的I（III）化合物的歧化结合而生成I（V）试剂。需氧产生的I（V）试剂具有类似于DMP的底物氧化化学性质。I（V）的需氧产生的发展使I（V）中间体在有氧氧化催化中的首次应用成为可能。

  DOI：

  10.1002/anie.201804159
• 作为产物：
  描述：

  1,1-二苯基丙酮 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 1,1-二苯基-2-丙醇
  参考文献：
  名称：

  1, 1-diphenylalkan-2-ols 的分辨率

  摘要：

  为了阐明 1,1-二苯基-链烷-2-酮的不对称还原反应过程，进行了 1,1-二苯基-链烷-2-醇的外消旋拆分。描述了各种成功的切割尝试。给出了光学纯对映体的旋转值。

  DOI：

  10.1002/ardp.19733061107

文献信息

• Chiral-at-metal iridium complex for efficient enantioselective transfer hydrogenation of ketones
  作者：Cheng Tian、Lei Gong、Eric Meggers

  DOI：10.1039/c6cc00972g

  日期：——

  A bis-cyclometalated iridium(III) complex with metal-centered chirality catalyzes the enantioselective transfer hydrogenation of ketones with high enantioselectivities at low catalyst loadings down to 0.002 mol%. Importantly, the rate of catalysis...

  具有金属中心手性的双环金属化铱（III）络合物在低至0.002 mol％的低催化剂负载下催化具有高对映选择性的酮的对映选择性转移氢化反应。重要的是，催化速率...
• Oxidative kinetic resolution of racemic secondary alcohols in water with chiral PNNP/Ir catalyst
  作者：Juanni Zhang、Xiangren Yang、Han Zhou、Yanyun Li、Zhenrong Dong、Jingxing Gao

  DOI：10.1039/c2gc00028h

  日期：——

  Using water as solvent, the oxidative kinetic resolution of a wide range of racemic secondary alcohols with a chiral PNNP/Ir catalyst was investigated. The catalytic reaction proceeded smoothly with excellent enantioselectivity (up to 97% ee) under mild conditions, providing an environmentally benign process to achieve optically active alcohols.

  使用 水 作为 溶剂，广泛的外消旋体的氧化动力学拆分 仲醇 带有手性PNNP / Ir 催化剂被调查了。催化反应在温和条件下以优异的对映选择性（高达97％ee）顺利进行，为实现光学活性提供了环境友好的工艺酒类。
• Reactivity of ketones in homogeneous catalytic hydrogenation with cationic rhodium complexes
  作者：Hiroshi Fujitsu、Eiichi Matsumura、Kenjiro Takeshita、Isao Mochida

  DOI：10.1039/p19810002650

  日期：——

  The catalytic hydrogenation of several ketones with cationic rhodium complexes has been investigated at 30 °C with hydrogen at atmospheric pressure. The rate of the reaction depended very much on the structure of both the ketone and phosphine ligand, with triethylphosphine giving the highest activity among the ligands used. An electron-withdrawing substituent in the ketone was found to increase its

  已经在大气压力下于30°C和氢气下研究了带有阳离子铑络合物的几种酮的催化加氢反应。反应速率在很大程度上取决于酮和膦配体的结构，其中三乙基膦在所使用的配体中具有最高的活性。发现酮中的吸电子取代基可提高其在烷基和芳基酮之间的反应性；前者酮的反应速度通常更快。苄基甲基酮在芳基酮中显示出很高的反应性，表明苯基可能处于与铑原子相互作用的位置，从而增强了反应性。首先将不饱和酮催化氢化以产生饱和酮，然后将其进一步氢化成相应的饱和醇。即使在连续氢化中，即使在不饱和酮中的烯键的氢化速率比相应的饱和酮的羰基的氢化速率小得多时，在该氢化中也未观察到痕量的不饱和醇。结合酮的配位和氢化机理讨论了酮的反应性。
• Visible-Light-Mediated Anti-Markovnikov Hydration of Olefins
  作者：Xia Hu、Guoting Zhang、Faxiang Bu、Aiwen Lei

  DOI：10.1021/acscatal.6b03388

  日期：2017.2.3

  avoided the need for a transition-metal catalyst, stoichiometric borane, as well as oxidant. Both terminal and internal olefins are readily accommodated in this transformation to obtain corresponding primary and secondary alcohols in good yields with single regioselectivity. This procedure can be scaled up to gram scale with a 230 turnover number based on photocatalyst.

  考虑到经典的烯烃抗马尔可夫尼科夫水合过程需要化学计量的硼烷和氧化剂，因此在催化方案中实现转化仍然很有吸引力。本文中，通过使用有机光氧化还原催化剂与氧化还原活性氢原子供体结合使用，可见光介导的反马尔科夫尼科夫水向烯烃的加成反应避免了过渡金属催化剂（化学计量的硼烷）的使用。以及氧化剂。末端烯烃和内部烯烃都易于容纳在该转化中，从而以单一区域选择性以高收率获得相应的伯醇和仲醇。基于光催化剂，该程序可以按230倍的转换规模放大至克级。
• Iron Catalyzed Hydroboration of Aldehydes and Ketones
  作者：Sem Raj Tamang、Michael Findlater

  DOI：10.1021/acs.joc.7b02020

  日期：2017.12.1

  We report an operationally convenient room temperature hydroboration of aldehydes and ketones employing Fe(acac)3 as precatalyst. The hydroboration of aldehydes and ketones proceeded efficiently at room temperature to yield, after work up, 1° and 2° alcohols; chemoselective hydroboration of aldehydes over ketones is attained under these conditions. We propose a σ-bond metathesis mechanism in which

  我们报告了使用Fe（acac）3作为预催化剂对醛和酮进行室温便捷的硼氢化反应。醛和酮的硼氢化反应在室温下有效进行，后处理后生成1°和2°的醇。在这些条件下，实现了醛在酮上的化学选择性硼氢化。我们提出了一个σ键复分解机制，其中Fe-H中间体被认为是关键的反应物种。

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