(2-aminophenyl)(phenyl)methanone oxime | 51674-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-aminophenyl)(phenyl)methanone oxime
• 英文别名: N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
• CAS: 51674-05-6
• 化学式: C₁₃H₁₂N₂O
• 分子量: 212.251
• InChiKey: STLNPQQBAZTBIO-UHFFFAOYSA-N

物化性质

• 熔点：
  157-158

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2928000090

SDS

Name:	(2-Aminophenyl)(phenyl)methanone oxime 97% Material Safety Data Sheet
Synonym:	2-Aminobenzophenone oxim
CAS:	51674-05-6

Section 1 - Chemical Product MSDS Name:(2-Aminophenyl)(phenyl)methanone oxime 97% Material Safety Data Sheet
Synonym:2-Aminobenzophenone oxim

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51674-05-6	(2-Aminophenyl)(phenyl)methanone oxime	97%	unlisted

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

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

---

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

---

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

---

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51674-05-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 157 - 158 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: C13H12N2O
Molecular Weight: 212

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51674-05-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(2-Aminophenyl)(phenyl)methanone oxime - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

---

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.
WGK (Water Danger/Protection)
CAS# 51674-05-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51674-05-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51674-05-6 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (2-aminophenyl)(phenyl)methanone oxime 在 cellulose supported Cu-nanoparticles 作用下， 以 水 为溶剂， 反应 0.13h， 以79%的产率得到2-氨基二苯甲酮
  参考文献：
  名称：

  Deprotection of oximes, imines, and azines to the corresponding carbonyls using Cu-nanoparticles on cellulose template as green reusable catalyst

  摘要：

  纤维素支持的铜纳米颗粒在中性条件下高效催化水中氧胺、亚胺和偶氮化合物的去保护反应。

  DOI：

  10.1039/c4ra08803d
• 作为产物：
  描述：

  2-氨基二苯甲酮 在 硫酸羟胺 作用下， 以 甲醇 、 水 为溶剂， 生成 (2-aminophenyl)(phenyl)methanone oxime
  参考文献：
  名称：

  1,2-二氢喹唑啉-3-氧化物的环保H2O2氧化为喹唑啉-3-氧化物

  摘要：

  摘要 2-氨基苯甲醛、1-(2-氨基苯基)乙酮和2-氨基苯基苯基甲酮肟1与芳香醛反应得到相应的 1,2-二氢喹唑啉-3-氧化物2。后者在室温下使用环境友好的 H 2 O 2 -钨酸盐氧化剂系统以高产率转化为一系列喹唑啉-3-氧化物3。还开发了一种用于合成化合物3 的高产一锅法。

  DOI：

  10.1080/00397911.2021.1934876

文献信息

• A Practical, Metal-Free Synthesis of 1<i>H</i>-Indazoles
  作者：Carla M. Counceller、Chad C. Eichman、Brenda C. Wray、James P. Stambuli

  DOI：10.1021/ol800053f

  日期：2008.3.1

  The synthesis of 1H-indazoles is achieved from o-aminobenzoximes by the selective activation of the oxime in the presence of the amino group. The reaction occurs with a variety of substituted o-aminobenzoximes using a slight excess of methanesulfonyl chloride and triethylamine at 0-23 degrees C and is amenable to scale-up. The synthesis of 1H-indazoles under these conditions is extremely mild compared

  1H-吲唑的合成是通过在氨基存在下肟的选择性活化，由邻氨基苯并肟实现的。该反应在0-23℃下使用稍微过量的甲磺酰氯和三乙胺与多种取代的邻氨基苯甲酰肟发生，并且可以放大。与以前的合成方法相比，在这些条件下1H-吲唑的合成非常温和，并以良好的产率提供了所需的化合物。
• Untersuchungen zur Cyclokendensation vono-aminophenyl-substituierten Ketoximen und Amidoximen mit Carbonylverbindungen zu anellierten Chinazolinderivaten
  作者：Jürgen Lessel

  DOI：10.1002/ardp.19953280502

  日期：——

  und Ketonen zu cyclischen Amidin‐ bzw. Chinazolin‐N‐oxiden 5, mit Diethylcarbonat ergibt Anthranilsäureamidoxim (3c) das Oxadiazolon 12. Dieses erfährt bei der Thermolyse eine Ringtransformation zu dem Aminoindazol 14, mit Ketonen erfolgt der Ringschluß zu den anellierten Chinazolinderivaten 22. Zur Erklärung des Reaktionsverlaufs werden semiempirische Molekülorbitalverfahren und die Störungstheorie

  o - 氨基苯基取代的酮肟和酰胺肟 3 与醛和酮反应形成环状脒或喹唑啉 N-氧化物 5，再与碳酸二乙酯反应生成邻氨基苯甲酰胺（3c）恶二唑酮 12。这在热解过程中发生环转化为氨基吲唑在图14中，稠合喹唑啉衍生物22的闭环发生在酮类中，使用半经验分子轨道方法和微扰理论来解释反应过程。
• Benzophenone derivatives useful in treating heart failure
  申请人：Hoffman-La Roche Inc.

  公开号：US04472435A1

  公开（公告）日：1984-09-18

  There is presented novel benzophenone derivatives of the formula ##STR1## wherein R.sup.1 is hydrogen or lower alkyl, R.sup.2 is hydrogen or aminoacetyl, R.sup.3 is hydrogen or lower alkyl, R.sup.4 is hydrogen or halogen, R.sup.5 is hydrogen, amino, nitro or a group of the formula R.sup.3 --ON.dbd.C(R.sup.6)--and R.sup.6 is lower alkyl, with the proviso that R.sup.5 is a group of the formula H--ON.dbd.C(R.sup.6)--when R.sup.2 and R.sup.3 are both hydrogen, and their pharmaceutically acceptable acid addition salts. The compounds exhibit aldosterone-antagonistic properties and are accordingly suitable for the control or prevention of heart failure, hepatic ascites, primary aldosteronism and idiopathic hypertension.

  提供了一种新型苯酮衍生物，其化学式为##STR1##其中R.sup.1为氢或低碳基，R.sup.2为氢或氨基乙酰基，R.sup.3为氢或低碳基，R.sup.4为氢或卤素，R.sup.5为氢、氨基、硝基或具有化学式R.sup.3 --ON.dbd.C(R.sup.6)--的基团，而R.sup.6为低碳基，但R.sup.5为H--ON.dbd.C(R.sup.6)--基团当R.sup.2和R.sup.3均为氢时，以及它们的药用可接受的酸盐。这些化合物具有醛固酮拮抗性质，因此适用于控制或预防心力衰竭、肝性腹水、原发性醛固酮分泌过多症和特发性高血压。
• I₂-Catalyzed oxidative synthesis of <i>N</i>,4-disubstituted quinazolines and quinazoline oxides
  作者：Nagesh Jatangi、Radha Krishna Palakodety

  DOI：10.1039/c9ob00349e

  日期：——

  approach to the synthesis of N,4-disubstituted quinazoline-2-amine and oxides is described. This transformation proceeds smoothly in the presence of molecular iodine. The metal-free protocol presented here is insensitive to air moisture and operationally simple. This versatile and synthetic methodology is broadly applicable to a variety of N,4-disubstituted quinazoline-2-amines and oxides, which are synthesized

  描述了一种简单而有效的合成N，4-二取代的喹唑啉-2-胺和氧化物的方法。在分子碘的存在下，该转化过程顺利进行。此处介绍的无金属协议对空气湿度不敏感，操作简单。这种通用的合成方法广泛适用于各种N，4-二取代的喹唑啉-2-胺和氧化物，从容易获得的廉价前体开始，即可以良好的产率获得优异的合成率。
• A convenient approach to 2,4-disubstituted quinazoline-3-oxides using active MnO₂ as the oxidant
  作者：Xinglin Ye、Zhiyuan Chen、Zhipeng Zhang、Yang Fu、Zhihong Deng、Yiyuan Peng

  DOI：10.1139/cjc-2018-0521

  日期：2019.9

  Using cheap, readily available, and economic active MnO2 as an oxidant, a series of 2,4-disubstituted quinazoline-3-oxides were synthesized in good to excellent yields by oxidation of the correspon...

  使用廉价、易得且经济的活性 MnO2 作为氧化剂，通过相应的氧化反应合成了一系列 2,4-二取代喹唑啉-3-氧化物，收率良好至极好。