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4-甲氧基邻苯二胺 | 102-51-2

中文名称
4-甲氧基邻苯二胺
中文别名
4-甲基邻苯二胺;3,4-二氨基苯甲醚;4-甲氧基邻基苯二胺;4-甲氧基-1,2-苯二胺
英文名称
4-methoxy-1,2-phenylenediamine
英文别名
4-methoxy-1,2-benzenediamine;4-methoxybenzene-1,2-diamine;4-methoxy-o-phenylenediamine;3,4-diaminoanisole;4‐methoxyphenylenediamine
4-甲氧基邻苯二胺化学式
CAS
102-51-2
化学式
C7H10N2O
mdl
MFCD00047837
分子量
138.169
InChiKey
AGAHETWGCFCMDK-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:
    46-48°C
  • 沸点:
    253.57°C (rough estimate)
  • 密度:
    1.1315 (rough estimate)
  • 溶解度:
    溶于二甲基亚砜和甲醇。
  • 稳定性/保质期:

    避免与氧化剂接触。

计算性质

  • 辛醇/水分配系数(LogP):
    0.6
  • 重原子数:
    10
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.14
  • 拓扑面积:
    61.3
  • 氢给体数:
    2
  • 氢受体数:
    3

安全信息

  • 危险等级:
    6.1
  • 危险品标志:
    Xi
  • 安全说明:
    S26,S36/37/39,S45
  • 危险类别码:
    R23/24/25
  • 危险品运输编号:
    2811
  • 海关编码:
    2922299090
  • 包装等级:
    III
  • 危险类别:
    6.1
  • 危险性防范说明:
    P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P330,P362+P364,P403+P233,P501
  • 危险性描述:
    H301,H311,H331,H315,H319,H335
  • 储存条件:
    储存于阴凉、通风的库房,远离火种、热源,防止阳光直射,并保持容器密封。应与氧化剂分开存放,切忌混储。配备相应的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。

SDS

SDS:37fde06529f33dad627009c10887ffbb
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Name: 4-Methoxy-o-phenylenediamine Material Safety Data Sheet
Synonym:
CAS: 102-51-2
Section 1 - Chemical Product MSDS Name:4-Methoxy-o-phenylenediamine Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
102-51-2 4-Methoxy-o-phenylenediamine unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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.
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.
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:
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 foam, dry chemical, or carbon dioxide.

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 tightly closed container. Keep refrigerated. (Store below 4C/39F.)

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# 102-51-2: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 46 - 48 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: C7H10N2O
Molecular Weight: 138.0828

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 102-51-2: ST2690000 LD50/LC50:
Not available.
Carcinogenicity:
4-Methoxy-o-phenylenediamine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 102-51-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 102-51-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 102-51-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A


制备方法与用途

生产方法是通过将3-硝基对甲醚铁粉还原得到的。具体步骤如下:首先,将60%乙酸3-硝基对苯甲醚加入到还原釜中,搅拌0.5小时后,再加入铁粉。随后,加热至60℃并保持反应,直至料液颜色消失,即为反应终点。此过程中生成了4-甲氧基邻苯二胺

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

反应信息

  • 作为反应物:
    描述:
    4-甲氧基邻苯二胺哌啶 、 sodium tetrahydroborate 、 三氯氧磷 作用下, 以 乙醇甲苯乙腈 为溶剂, 反应 19.0h, 生成 (E)-methyl 2-cyano-3-(7-methoxy-1,4-diphenethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)acrylate
    参考文献:
    名称:
    衍生自7-甲氧基-1,4-二苯乙基-1,2,3,4-四氢喹喔啉-6-甲醛的新型苯乙烯基着色剂的合成,光物理性质和抗菌活性
    摘要:
    通过将6-甲氧基喹喔啉与苯基乙酸还原烷基化,合成新型的1,4-二苯乙基-1,2,3,4-四氢-7-甲氧基喹喔啉-6-甲醛,然后将其与各种活性亚甲基进行Knoevenagel缩合反应。合成新型苯乙烯基着色剂的化合物。使用紫外可见光和荧光光谱法研究了苯乙烯基着色剂的光物理性质。这些着色剂呈现橙色至紫色调,并在560–640 nm范围内显示出最大的荧光发射,并显示出较大的斯托克斯位移(85–104 nm)。对化合物进行热重分析,该分析显示出在高达310°C的温度下具有出色的稳定性。对这些苯乙烯基化合物进行了抗微生物研究,以评估其对白色念珠菌和白色念珠菌的抗真菌作用。黑曲霉及其对大肠杆菌和金黄色葡萄球菌的抗菌作用。结果表明对被测生物具有良好的抗菌活性。使用元素分析,FTIR,13 C-NMR和1 H-NMR光谱和质谱对合成的生色团进行表征。
    DOI:
    10.1002/jhet.1059
  • 作为产物:
    描述:
    5-溴-2-硝基苯胺四(三苯基膦)钯 、 palladium on activated charcoal 、 甲酸铵potassium carbonate 作用下, 生成 4-甲氧基邻苯二胺
    参考文献:
    名称:
    Identification of novel HDAC inhibitors through cell based screening and their evaluation as potential anticancer agents
    摘要:
    A series of benzimidazole based HDAC inhibitors have been rationally designed, synthesized and screened. The SAR of this new chemotype is described. The lead compound, 11e, showed strong activity in several cellular assays and demonstrated in vivo efficacy in mouse xenograft pancreatic cancer models. (C) 2013 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2013.07.001
  • 作为试剂:
    描述:
    2-氧代-5-己酸乙酯4-甲氧基邻苯二胺4-甲氧基邻苯二胺 作用下, 以85的产率得到3-(but-3-enyl)-7-methoxyquinoxalin-2(1H)-one
    参考文献:
    名称:
    [EN] MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS
    [FR] COMPOSÉS DE QUINOXALINE MACROCYCLIQUES EN TANT QU'INHIBITEURS DE PROTÉASE NS3 DU VIRUS DE L'HÉPATITE C (HCV)
    摘要:
    本发明涉及一种式为(I)的大环化合物及其作为丙型肝炎病毒(HCV)NS3蛋白酶抑制剂的用途,并用于治疗或预防HCV感染。式(I)如下:
    公开号:
    WO2010011566A1
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文献信息

  • IRAK DEGRADERS AND USES THEREOF
    申请人:Kymera Therapeutics, Inc.
    公开号:US20190192668A1
    公开(公告)日:2019-06-27
    The present invention provides compounds, compositions thereof, and methods of using the same.
    本发明提供了化合物、其组合物以及使用这些化合物的方法。
  • Chemoselective transfer hydrogenation of nitroarenes by highly dispersed Ni-Co BMNPs
    作者:Jia-wei Zhang、Guo-ping Lu、Chun Cai
    DOI:10.1016/j.catcom.2016.05.023
    日期:2016.9
    Highly dispread Ni-Co bimetallic nanoparticles (Ni-Co BMNPs) are synthesized and applied as an efficient catalyst in the chemoselective transfer hydrogenation of nitroarenes (CTH) using hydrazine hydrate as the hydrogen donor. The BMNPs can efficiently catalyze the reduction reaction without any additives under mild conditions with high TOF. Significantly higher activity is achieved when compared with
    合成了高度分散的Ni-Co双属纳米颗粒(Ni-Co BMNPs),并使用作为氢供体,将其作为有效的催化剂用于硝基芳烃(CTH)的化学选择性转移加氢。在高TOF的温和条件下,无需任何添加剂,BMNP即可有效催化还原反应。与相应的单组分催化剂相比,可以显着提高活性,筛选出Ni-Co BMNPs的最佳组成,事实证明这对选择性和收率都至关重要。Ni-Co BMNP的出色性能归因于BMNPs表面活性位点的改善分散性(与Ni NPs相比)以及电子从的转移。
  • Synthesis of novel substituted 3-(4-((1H-benzo[d]imidazol-2-ylthio)methyl)-1-phenyl-1H-pyrazol-3-yl)-2H-chromen-2-ones: various approaches
    作者:Devulapally Srikrishna、Pramod Kumar Dubey
    DOI:10.1007/s11164-018-3397-x
    日期:2018.7
    a privileged structure for developing probes of impressive pharmacological potentials, some new coumarin and pyrazole conjugates of benzimidazoles were synthesized with a sulphur linkage. Thus, 3-(2-oxo-2 H -chromen-3-yl)-1-phenyl-1 H -pyrazole-4-carbaldehyde ( 3 ) was prepared starting from simple salicylaldehyde which has been used as an important synthon and incorporated in a series of structural
    摘要以 苯并咪唑为优先结构,可开发出令人印象深刻的药理潜力的探针,合成了一些新的具有键的苯并咪唑香豆素吡唑共轭物。因此,3-(2-氧代-2- ħ -苯并喃-3-基)-1-苯基-1- ħ 吡唑-4-甲醛( 3 )的制备从已经作为重要的合成子和并入简单水杨醛开始在一系列结构操作中获得各种药效基序缀合物 9(a–b) 和 13(a–f) ,以合理的收益率。我们已经开发出了简便且逐步的方法,可以通过各种方法合成所有这些化合物,其中还涉及子序列。通过IR,1 HNMR,13 CNMR和质谱数据很好地表征了所有合成的化合物。 图形概要
  • [EN] ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY<br/>[FR] DERIVES D'ARYL-1,3-AZOLE ET PROCEDES PERMETTANT D'INHIBER L'ACTIVITE DE L'HEPARANASE
    申请人:IMCLONE SYSTEMS INC
    公开号:WO2005030206A1
    公开(公告)日:2005-04-07
    The present invention encompasses heparanase inhibitors, particularly to certain 2-substituted heteroaryl-fused and aryl-fused carbazole derivatives that inhibit heparanase, pharmaceutical compositions that contain the compounds, methods for making the compounds, and methods of treating heparanase-dependent diseases and conditions in mammals by administering a therapeutically effective amount of the compounds to the mammals.
    本发明涵盖了抑制肝素酶的抑制剂,特别是特定的2-取代杂芳基融合和芳基融合的咔唑生物,这些衍生物抑制肝素酶,包含这些化合物的药物组合物,制备这些化合物的方法,以及通过向哺乳动物施用这些化合物的治疗有效量来治疗依赖肝素酶的疾病和病况的方法。
  • THE CONDENSATION OF PHOSPHONOTHIOIC AND PHOSPHONIC DICHLORIDES WITH <i>o</i>-DIAMINES
    作者:Ralph L. Dannley、Arturs Grava
    DOI:10.1139/v65-469
    日期:1965.12.1
    dichlorides, and phenylenediamines containing electron-donating substituents are more reactive than those containing electron-withdrawing substituents. The diazaphosphole 2-oxides undergo hydrolysis or alcoholysis of only one of the amide groups under mild conditions. The 2-sulfides are much more resistant to hydrolysis than the 2-oxides. The 2-sulfides are converted to the N-methyl derivatives by dimethyl
    已经制备了一系列 2,3-二氢-1H-1,3,2-苯并二氮杂 2-硫化物和 2-氧化物,最常见的方法是在回流惰性溶剂中将二胺与膦代或膦酰二化物缩合。代膦酰二化物比相应的膦酰二反应更慢,含有给电子取代基的苯二胺比含有吸电子取代基的苯二胺反应性更强。二氮杂酰 2-氧化物在温和条件下仅对其中一个酰胺基进行解或醇解。2-硫化物比2-氧化物更耐解。2-硫化物硫酸二甲酯和碱转化为N-甲基衍生物。2-氧化物在这些条件下解。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
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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

(R)-3-(叔丁基)-4-(2,6-二异丙氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (2S,3R)-3-(叔丁基)-2-(二叔丁基膦基)-4-甲氧基-2,3-二氢苯并[d][1,3]氧杂磷杂戊环 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-二甲氧基-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2R,2''R,3R,3''R)-3,3''-二叔丁基-4,4''-二甲氧基-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2-氟-3-异丙氧基苯基)三氟硼酸钾 (+)-6,6'-{[(1R,3R)-1,3-二甲基-1,3基]双(氧)}双[4,8-双(叔丁基)-2,10-二甲氧基-丙二醇 麦角甾烷-6-酮,2,3,22,23-四羟基-,(2a,3a,5a,22S,23S)- 鲁前列醇 顺式6-(对甲氧基苯基)-5-己烯酸 顺式-铂戊脒碘化物 顺式-四氢-2-苯氧基-N,N,N-三甲基-2H-吡喃-3-铵碘化物 顺式-4-甲氧基苯基1-丙烯基醚 顺式-2,4,5-三甲氧基-1-丙烯基苯 顺式-1,3-二甲基-4-苯基-2-氮杂环丁酮 非那西丁杂质7 非那西丁杂质3 非那西丁杂质22 非那西丁杂质18 非那卡因 非布司他杂质37 非布司他杂质30 非布丙醇 雷诺嗪 阿达洛尔 阿达洛尔 阿莫噁酮 阿莫兰特 阿维西利 阿索卡诺 阿米维林 阿立酮 阿曲汀中间体3 阿普洛尔 阿普斯特杂质67 阿普斯特中间体 阿普斯特中间体 阿托西汀EP杂质A 阿托莫西汀杂质24 阿托莫西汀杂质10 阿托莫西汀EP杂质C 阿尼扎芬 阿利克仑中间体3 间苯胺氢氟乙酰氯 间苯二酚二缩水甘油醚 间苯二酚二异丙醇醚 间苯二酚二(2-羟乙基)醚 间苄氧基苯乙醇 间甲苯氧基乙酸肼 间甲苯氧基乙腈 间甲苯异氰酸酯