N-苄基-3-苄氧基-2-吡啶酮 | 24016-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: N-苄基-3-苄氧基-2-吡啶酮
• 英文名称: 1-benzyl-3-benzyloxy-2-(1H)pyridone
• 英文别名: 1-benzyl-3-benzyloxy-2-pyridone；1-benzyl-3-benzyloxy-1H-pyridin-2-one；1-benzyl-3-benzyloxy-2(1H)-pyridone；N-benzyl-3-benzyloxy-2-pyridone；1-Benzyl-3-(benzyloxy)pyridine-2(1H)-one；1-benzyl-3-benzyloxy-1H-pyridin-2-one；1-benzyl-3-phenylmethoxypyridin-2-one
• CAS: 24016-11-3
• 化学式: C₁₉H₁₇NO₂
• mdl: MFCD00006521
• 分子量: 291.349
• InChiKey: HMLBFYRJCGMNTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.105
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933399090

SDS

Name:	1-Benzyl-3-benzyloxy-2(1h)-pyridone Material Safety Data Sheet
Synonym:
CAS:	24016-11-3

Section 1 - Chemical Product MSDS Name:1-Benzyl-3-benzyloxy-2(1h)-pyridone Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
24016-11-3	1-Benzyl-3-benzyloxy-2(1H)-pyridone	100	245-984-4

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

---

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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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.

---

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:

---

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 water spray, dry chemical, carbon dioxide, or appropriate foam.

---

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.

---

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:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24016-11-3: 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:
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: Powder
Color: tan
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 113.00 - 116.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C19H17NO2
Molecular Weight: 291.34

---

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, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24016-11-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Benzyl-3-benzyloxy-2(1H)-pyridone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

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# 24016-11-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24016-11-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24016-11-3 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：

  N-苄基-3-苄氧基-2-吡啶酮 在 溶剂黄146 、 钯 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 16.0h， 以to give the crude product J2 which的产率得到1-benzyl-3-hydroxypyridin-2-one
  参考文献：
  名称：

  N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors

  摘要：

  N-苄基二羟基吡啶羧酰胺化合物是HIV整合酶的抑制剂和HIV复制的抑制剂。在一种实施例中，二羟基吡啶羧酰胺是公式（I）中的化合物，其中Q是公式（II）或公式（III）；T是公式（IV）；R1，R2，X1，X2，X3和Y1在此定义。这些化合物对于预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病非常有用。这些化合物作为化合物本身或以药学上可接受的盐的形式用于对抗HIV感染和艾滋病。这些化合物及其盐可以作为药物组合物中的成分，可选地与其他抗病毒药物，免疫调节剂，抗生素或疫苗组合使用。

  公开号：

  US20070155744A1
• 作为产物：
  描述：

  吡啶-2,3-二醇 、 溴甲苯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-苄基-3-苄氧基-2-吡啶酮
  参考文献：
  名称：

  N-benzyl-3,4-dihyroxypyridine-2-carboxamide and n-benzyl-2,3-dihydroxypyridine-4- carboxamide compounds useful as hiv integrase inhibitors

  摘要：

  N-苄基二羟基吡啶羧酰胺化合物是HIV整合酶的抑制剂，也是HIV复制的抑制剂。在一种实施例中，二羟基吡啶羧酰胺为式（I）中的化合物，其中Q为式（II）或式（III）；T为式（IV）；R1、R2、X1、X2、X3和Y1在此处定义。这些化合物对预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病具有用处。这些化合物可作为化合物本身或作为药学上可接受的盐的形式用于抗击HIV感染和艾滋病。这些化合物及其盐可作为药物组成部分，可选择地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。

  公开号：

  US20070155744A1

文献信息

• Study of the catalytic properties of tris (3,6-dioxaheptyl) amine (tda-1) in heteroaromatic nucleophilic substitution of chloropyridines and their n-oxides
  作者：P. Ballesteros、R.M. Claramunt、J. Elguero

  DOI：10.1016/s0040-4020(01)81663-x

  日期：——

  Catalytic properties of tris(3,6-dioxaheptyl)amine (TDA-1) have been analyzed in reactions of alkoxydehalogenation of 2- and 4-chloropyridine and their N-oxides under solid-liquid phase transfer catalysis conditions. Alkoxypyridines were obtained in excelent yields but with N-oxides a competitive alkaline cleavage of the performed ether was observed.

  在固液相转移催化条件下，对2-和4-氯吡啶及其N-氧化物进行烷氧基脱卤反应，分析了三（3,6-二氧杂庚基）胺（TDA-1）的催化性能。以优异的产率获得了烷氧基吡啶，但是用N-氧化物观察到所进行的醚具有竞争性的碱性裂解。
• The synthesis of 1,4-ethano-1,2,3,4-tetrahydroisoquinolines as rigid analogues of adrenergic agents
  作者：Frank W. Muellner、Ludwig Bauer

  DOI：10.1002/jhet.5570200629

  日期：1983.11

  4-tetrahydroisoquinoline system. Catalytic reduction of these adducts yielded the corresponding tricyclic lactams. Lithium aluminum hydride reduction of these lactams produced a number of 1,4-ethano-1,2,3,4-tetrahydroisoquinolines.

  在1-（2-反式-苯基乙烯基）-2-吡啶酮和1-苄基-3-苄氧基-2-吡啶酮中将苯炔和4,5-二甲氧基苯并Di的Diels-Alder加成反应提供了1,4-etheno-3的成员-氧代-1,2,3,4-四氢异喹啉系统。这些加合物的催化还原产生相应的三环内酰胺。这些内酰胺的氢化锂铝还原产生许多1,4-乙醇-1,2,3,4-四氢异喹啉。
• N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones
  申请人：The Procter & Gamble Company

  公开号：US20040097560A1

  公开（公告）日：2004-05-20

  Compounds of Formula (I) 1 are effective in the treatment of a microbial infection.

  化合物式（I）1在治疗微生物感染方面具有良好的疗效。
• 4,5-Dibenzyloxybenzyne as a synthon for diels-alder reactions. The synthesis of 6,7-dihydroxy-1,4-ethano-1,2,3,4-tetrahydroisoquinolines as rigid analogs of adrenergic agents. Assignment of proton and carbon-13 NMR parameters using homonuclear and heteronuclear two-dimensional chemical shift correlation NMR spectroscopy
  作者：Frank W. Muellner、Ashraf N. Abdel-Sayed、Ludwig Bauer

  DOI：10.1002/jhet.5570220426

  日期：1985.7

  lithium aluminum hydride to provide 6,7-dihydroxy-1,4-ethano-1,2,3,4-tetrahydroisoquinolines. Homonuclear and heteronuclear two-dimensional chemical shift correlation nmr spectroscopy confirmed the structure of the bridged tetra-hydroisoquinolines and led to the unambiguous assignment of the 1H and 13C nmr chemical shifts of key compounds.

  据报道，儿茶酚胺型肾上腺素能药物的几种刚性类似物的合成。他们的合成开始于将4,5-二苄氧基苯并（由4,5-二苄氧基-邻氨基苯甲酸生成）的Diels-Alder环加成反应成1-（2-反式-苯基乙烯基）-2-吡啶酮和1-苄基-3-苄氧基- 2-吡啶酮。如此产生的不饱和酰胺首先用氢和钯还原，然后用氢化铝锂还原，得到6,7-二羟基-1,4-乙醇-1,2,3,4-四氢异喹啉。同核和异核二维化学位移相关核磁共振波谱证实了桥接的四氢异喹啉的结构，并导致关键化合物的1 H和13 C核磁共振化学位移明确分配。
• N-BENZYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES
  申请人：Warshakoon Namal Chithranga

  公开号：US20120115876A1

  公开（公告）日：2012-05-10

  Compounds of Formula (I) are effective in the treatment of a microbial infection.

  公式（I）的化合物对治疗微生物感染有效。

表征谱图