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4-二甲氨基苯甲酸甲酯 | 1202-25-1

中文名称
4-二甲氨基苯甲酸甲酯
中文别名
4-二甲基氨基苯甲酸甲酯
英文名称
methyl 4-(N,N-dimethylamino)benzoate
英文别名
methyl 4-(dimethylamino)benzoate;methyl p-(N,N-dimethylamino)benzoate;methyl p-(dimethylamino)benzoate;4-dimethylaminobenzoic acid methyl ester
4-二甲氨基苯甲酸甲酯化学式
CAS
1202-25-1
化学式
C10H13NO2
mdl
MFCD00014905
分子量
179.219
InChiKey
DBQGARDMYOMOOS-UHFFFAOYSA-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:
    100-102°C
  • 沸点:
    311.75°C (rough estimate)
  • 密度:
    1.1248 (rough estimate)
  • 稳定性/保质期:

    如果按照规格使用和储存,则不会分解,未有已知危险反应。请避免接触氧化物。

计算性质

  • 辛醇/水分配系数(LogP):
    2.4
  • 重原子数:
    13
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.3
  • 拓扑面积:
    29.5
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • 安全说明:
    S22,S24/25
  • 海关编码:
    2922499990
  • 危险性防范说明:
    P261,P301+P312,P302+P352,P304+P340,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H335
  • 储存条件:
    请将贮藏器密封保存,并存放在阴凉干燥处。同时,确保工作环境具有良好的通风或排气设施。

SDS

SDS:a84337cfa96a079025fe46684f4ac29b
查看
Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: Methyl 4-(dimethylamino)benzoate
Synonyms:

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: Methyl 4-(dimethylamino)benzoate
CAS number: 1202-25-1

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C10H13NO2
Molecular weight: 179.2

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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
    • 3

反应信息

  • 作为反应物:
    描述:
    4-二甲氨基苯甲酸甲酯二乙基硅烷 、 C15H27Br2CoN3potassium tert-butylate 作用下, 以 甲苯 为溶剂, 反应 12.0h, 以39%的产率得到对二甲氨基苯甲醛
    参考文献:
    名称:
    钴催化从酯选择性合成醛和醇。
    摘要:
    据报道酯被有效和选择性地还原为醛和醇,其中简单的钴夹钳催化剂使用二乙基硅烷作为还原剂催化两种转化。显着地,反应选择性由二乙基硅烷的化学计量控制。
    DOI:
    10.1039/d0cc03076g
  • 作为产物:
    描述:
    米氏酮 在 soda lime 、 硫酸 作用下, 生成 4-二甲氨基苯甲酸甲酯
    参考文献:
    名称:
    Bischoff,E., Chemische Berichte, 1889, vol. 22, p. 347
    摘要:
    DOI:
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文献信息

  • SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME
    申请人:KABUSHIKI KAISHA SHOFU
    公开号:US20190300552A1
    公开(公告)日:2019-10-03
    The present invention relate to a novel silane coupling agent and a medical and/or dental curable composition comprising the same. It is an object of the present invention to provide a novel silane coupling agent that imparts high affinity to a radical polymerizable monomer, thereby imparting high mechanical strength, flexibility and durability when used for a medical and/or dental curable composition, and an inorganic filler surface-treated with the novel silane coupling agent and a novel medical and/or dental curable composition. A silane coupling agent including repeating units such as a urethane bond and polyethylene glycol (ether bond) at a specific position is used.
    本发明涉及一种新型硅烷偶联剂以及包括该偶联剂的医用和/或牙科可固化组合物。本发明的目的是提供一种新型硅烷偶联剂,使其对自由基聚合单体具有高亲和力,从而在用于医用和/或牙科可固化组合物时赋予高机械强度、柔韧性和耐久性,并且包括经新型硅烷偶联剂表面处理的无机填料和新型医用和/或牙科可固化组合物。该硅烷偶联剂包括在特定位置具有尿素键和聚乙二醇(醚键)等重复单元。
  • Cleavage of Carboxylic Esters by Aluminum and Iodine
    作者:Dayong Sang、Huaxin Yue、Yang Fu、Juan Tian
    DOI:10.1021/acs.joc.1c00034
    日期:2021.3.5
    A one-pot procedure for deprotecting carboxylic esters under nonhydrolytic conditions is described. Typical alkyl carboxylates are readily deblocked to the carboxylic acids by the action of aluminum powder and iodine in anhydrous acetonitrile. Cleavage of lactones affords the corresponding ω-iodoalkylcarboxylic acids. Aryl acetylates undergo deacetylation with the participation of the neighboring group
    描述了一种在非解条件下使羧酸酯脱保护的一锅法方法。在无乙腈中,铝粉和的作用下,典型的羧酸烷基酯很容易解封为羧酸。切割内酯得到相应的ω-代烷基羧酸乙酸芳基酯在相邻基团的参与下进行脱乙酰化。该方法能够在芳基酯存在下选择性裂解烷基羧酸酯。
  • Silver-catalyzed intermolecular amination of fluoroarenes
    作者:Yu Wang、Chenlong Wei、Ruyun Tang、Haosheng Zhan、Jing Lin、Zhenhua Liu、Weihua Tao、Zhongxue Fang
    DOI:10.1039/c8ob01749b
    日期:——
    A novel highly selective Ag-catalyzed intermolecular amination of fluoroarenes has been developed. This transformation starts from readily available 4-carbonyl fluorobenzene and NaN3 or other nitrogen-source, via amination followed by C–F bond cleavage, thus affording the desired 4-carbonyl arylamine products under mild conditions. The reaction is accelerated using a small amount of water. This pathway
    已经开发了新颖的高选择性的Ag催化的芳烃的分子间胺化。这种转变从容易获得的4-羰基氟苯和NaN 3或其他氮源开始,通过胺化,然后进行CF键断裂,从而在温和的条件下提供所需的4-羰基芳胺产品。用少量促进反应。该途径不同于先前报道的自由基胺化反应。
  • A metal-free direct C (sp<sup>3</sup>)–H cyanation reaction with cyanobenziodoxolones
    作者:Ming-Xue Sun、Yao-Feng Wang、Bao-Hua Xu、Xin-Qi Ma、Suo-Jiang Zhang
    DOI:10.1039/c8ob00173a
    日期:——
    A metal-free protocol of direct C(sp3)–H cyanation with cyanobenziodoxolones functioning as both cyanating reagents and oxidants was developed. Unactivated substrates, such as alkanes, ethers and tertiary amines, were thereby transformed to the corresponding nitriles in moderate to high yields. Mechanistic studies indicated that the cyanation proceeded with two potential pathways, which is highly dependent
    开发了一种无属的直接C(sp 3)-H化的方案,其中基苯并恶恶唑烷既起着化剂的作用,又起氧化剂的作用。未活化的底物,例如烷烃,醚和叔胺,由此以中等至高产率转化为相应的腈。机理研究表明,化反应通过两个可能的途径进行,这主要取决于底物:(1)烷烃和醚的自由基情况,以及(2)叔胺的氧化情况。
  • Electrochemical Activation of Diverse Conventional Photoredox Catalysts Induces Potent Photoreductant Activity**
    作者:Colleen P. Chernowsky、Alyah F. Chmiel、Zachary K. Wickens
    DOI:10.1002/anie.202107169
    日期:2021.9.20
    Herein, we disclose that electrochemical stimulation induces new photocatalytic activity from a range of structurally diverse conventional photocatalysts. These studies uncover a new electron-primed photoredox catalyst capable of promoting the reductive cleavage of strong C(sp2)−N and C(sp2)−O bonds. We illustrate several examples of the synthetic utility of these deeply reducing but otherwise safe
    在此,我们公开了电化学刺激从一系列结构多样的传统光催化剂中诱导出新的光催化活性。这些研究揭示了一种新型电子引发的光氧化还原催化剂,能够促进强 C(sp 2 )−N 和 C(sp 2 )−O 键的还原裂解。我们举例说明了这些深度还原但安全且温和的催化条件的合成用途。最后,我们采用电化学电流测量来进行反应进程动力学分析。该技术表明,该新系统的活性提高是催化剂稳定性增强的结果。
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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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mass
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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同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S,S)-邻甲苯基-DIPAMP (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(-)-4,12-双(二苯基膦基)[2.2]对环芳烷(1,5环辛二烯)铑(I)四氟硼酸盐 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(4-叔丁基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(3-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-4,7-双(3,5-二-叔丁基苯基)膦基-7“-[(吡啶-2-基甲基)氨基]-2,2”,3,3'-四氢1,1'-螺二茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (R)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4S,4''S)-2,2''-亚环戊基双[4,5-二氢-4-(苯甲基)恶唑] (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (3aR,6aS)-5-氧代六氢环戊基[c]吡咯-2(1H)-羧酸酯 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[((1S,2S)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1S,2S,3R,5R)-2-(苄氧基)甲基-6-氧杂双环[3.1.0]己-3-醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (1-(2,6-二氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙蒿油 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫-d6 龙胆紫