N1-(4-氨基-2-甲基苯)乙酰胺 | 56891-59-9

• 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: N1-(4-氨基-2-甲基苯)乙酰胺
• 中文别名: N-(4-氨基-2-甲基-苯基)-乙酰胺
• 英文名称: N-(4-Amino-2-methyl-phenyl)-acetamide
• 英文别名: 4-acetamido-3-methylaniline；4-acetamino-3-methylaniline；acetic acid-(4-amino-2-methyl-anilide)；2-Methyl-N¹-acetyl-p-phenylendiamin；Essigsaeure-(4-amino-2-methyl-anilid)；5-Amino-2-acetamino-toluol；N-(4-amino-2-methylphenyl)acetamide
• CAS: 56891-59-9
• 化学式: C₉H₁₂N₂O
• mdl: MFCD00276633
• 分子量: 164.207
• InChiKey: GWFPMSIIVJMYRZ-UHFFFAOYSA-N

物化性质

• 熔点：
  141 °C
• 沸点：
  259.9±20.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2924299090

SDS

Name:	N1-(4-Amino-2-methylphenyl)acetamide tech Material Safety Data Sheet
Synonym:
CAS:	56891-59-9

Section 1 - Chemical Product MSDS Name:N1-(4-Amino-2-methylphenyl)acetamide tech Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
56891-59-9	N1-(4-Amino-2-methylphenyl)acetamide		unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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

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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.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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

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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.

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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.

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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# 56891-59-9: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 146 - 148 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: C9H12N2O
Molecular Weight: 164

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 56891-59-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N1-(4-Amino-2-methylphenyl)acetamide - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 56891-59-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 56891-59-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 56891-59-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N1-(4-氨基-2-甲基苯)乙酰胺 在 盐酸 、 硫酸 作用下， 生成 6-amino-2,7-dimethyl-quinoline-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Ermili et al., Annali di Chimica, 1956, vol. 46, p. 1199,1203

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-4-硝基乙酰苯胺 在 sodium formate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以89%的产率得到N1-(4-氨基-2-甲基苯)乙酰胺
  参考文献：
  名称：

  聚多巴胺上的钯：其在催化转移加氢和Heck偶联反应中的真实潜力

  摘要：

  报道了Pd-聚多巴胺和磁性Fe 3 O 4 @ Pd-聚多巴胺催化剂在催化转移加氢反应和Heck芳基化反应中的应用。尽管发现羰基化合物的还原不太普遍，但可以有效地将带有给电子和吸电子取代基的多种芳香族硝基化合物还原成相应的苯胺。在后一种情况下，仅芳族酮可被还原为相应的醇，而醛底物不受影响，这可能是由于它们与催化剂载体反应导致催化剂失活。通过使用磁性Fe 3 O 4@ Pd-聚多巴胺系统可促进催化剂的回收和连续使用五个周期，而不会导致硝基还原活性的显着降低。Heck反应中催化剂的效率与转移氢化中的效率相当，但是，在这种情况下再利用时未观察到催化活性，这很可能是金属浸出的结果。我们还探索了串联Heck反应/催化转移加氢序列，但是，这两个反应在应用条件下均显示出有限的相容性。

  DOI：

  10.1002/cctc.201700609
• 作为试剂：
  描述：

  2-甲基-4-硝基乙酰苯胺 、 、 、 氢气 在 镍 镍 、 甲醇 、 N1-(4-氨基-2-甲基苯)乙酰胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N1-(4-氨基-2-甲基苯)乙酰胺
  参考文献：
  名称：

  Process for preparing 4-amino-3-methyl-N-substituted or unsubstituted

  摘要：

  制备4-氨基-3-甲基-N-取代或未取代烷基苯胺的方法，包括用酰化剂和/或磺酰化剂酰化和/或磺酰化具有公式（I）的4-氨基-3-甲基-硝基苯，其中公式（I）如下所示： ##STR1## 以获得具有通式（II）的化合物，其中R.sub.1代表氢原子或酰基，R.sub.2代表酰基或磺酰基，或R.sub.1和R.sub.2可以组合为双官能团酰基；在金属氢化催化剂的存在下，用氢还原具有通式（II）的化合物的硝基基团，以获得具有通式（III）的化合物，其中R.sub.1和R.sub.2如上所定义；用从群组中选择的烷基卤化物、取代烷基卤化物和烷基氧化物的烷基化剂烷基化具有通式（III）的化合物的氨基，以获得具有通式（IV）的化合物，其中R.sub.1和R.sub.2如上所定义，R.sub.3代表烷基或取代烷基，R.sub.4代表氢原子、烷基或取代烷基；并水解具有通式（IV）的化合物，以获得具有通式（V）的化合物，其中R.sub.3和R.sub.4如上所定义。

  公开号：

  US04009205A1

文献信息

• N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library
  申请人：Crew Philip Andrew

  公开号：US20060116402A1

  公开（公告）日：2006-06-01

  Compounds represented by Formula (I): or a pharmaceutically acceptable salt or N-oxide thereof, are useful in the treatment of tumors. Combinatorial libraries composed of compounds represented by Formula (I) or benzimidazole compounds represented by Formula (II): are useful in providing compounds to assay for such therapeutically useful compounds.

  式(I)表示的化合物：或其药学上可接受的盐或N-氧化物，在肿瘤治疗中具有用途。由式(I)表示的化合物或式(II)表示的苯并咪唑化合物组成的组合库：在提供用于筛选此类治疗上有用的化合物的化合物方面具有用途。
• Process for preparing pyrrolidinyl-functional para-phenylenediamine derivatives substituted by a nitrogenous radical, and intermediate compounds
  申请人：Bordier Thierry

  公开号：US20050209466A1

  公开（公告）日：2005-09-22

  Process for synthesizing para-phenylenediamine derivative compounds containing a pyrolidinyl group and substituted by a nitrogenous radical, corresponding to the formula (I) below: Intermediates containing a pyrrolidinyl group bearing a nitrogenous radical.

  合成含有吡啶基团且被氮基团取代的对苯二胺衍生物化合物的过程，对应以下公式（I）：含有带有氮基团的吡咯啉基团的中间体。
• [EN] NOVEL IMIDAZO-PYRAZINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'IMIDAZO-PYRAZINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021249893A1

  公开（公告）日：2021-12-16

  The invention provides novel imidazo-pyrazine derivatives having the general formula (I), and pharmaceutically acceptable salts thereof, wherein X, m, n, and R1 to R3 are as described herein: formula (I). Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.

  该发明提供了具有一般式(I)的新型咪唑吡嗪衍生物，以及其药用盐，其中X、m、n和R1至R3如本文所述：式(I)。此外还提供了包括该化合物的药物组合物、制造该化合物的方法以及将该化合物用作药物的方法，特别是将该化合物用作抗生素治疗或预防细菌感染及由此导致的疾病的方法。
• [EN] THIOUREA INHIBITORS OF HERPES VIRUSES<br/>[FR] THIO-UREES INHIBITRICES DES VIRUS DE L'HERPES
  申请人：AMERICAN HOME PROD

  公开号：WO2000034268A1

  公开（公告）日：2000-06-15

  Compounds of formula (I) wherein A is heteroaryl; R9-R12 are independently hydrogen, alkyl of 1 to 4 carbon atoms, perhaloalkyl of 1 to 4 carbon atoms, halogen, alkoxy of 1 to 4 carbon atoms, or cyano, or R9 and R10 or R11 and R12 may be taken together to form aryl of 5 to 7 carbon atoms; W is O, NR6, or is absent; G is aryl or heteroaryl; and X is a bond, -NH, alkyl of 1 to 6 carbon atoms, alkenyl of 1 to 6 carbon atoms, alkoxy of 1 to 6 carbon atoms, thioalkyl of 1 to 6 carbon atoms, alkylamino of 1 to 6 carbon atoms, or (CH)J; and J is alkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, phenyl or benzyl; and n is an integer from 1 to 6; or a pharmaceutical salt thereof, useful in the treatment of diseases associated with herpes viruses including human cytomegalovirus, herpes simplex viruses, Epstein-Barr virus, varicella-zoster virus, human herpesviruses-6 and -7, and Kaposi herpesvirus.

  化合物的式子（I），其中A是杂环芳基；R9-R12独立地是氢，1到4个碳原子的烷基，1到4个碳原子的全氟烷基，卤素，1到4个碳原子的烷氧基，或氰基，或者R9和R10或R11和R12可以结合成5到7个碳原子的芳基；W是O，NR6，或不存在；G是芳基或杂环芳基；X是键，-NH，1到6个碳原子的烷基，1到6个碳原子的烯基，1到6个碳原子的烷氧基，1到6个碳原子的硫代烷基，1到6个碳原子的烷基氨基，或（CH）J；J是1到6个碳原子的烷基，3到7个碳原子的环烷基，苯基或苄基；n是1到6的整数；或其药用盐，用于治疗与疱疹病毒相关的疾病，包括人类巨细胞病毒，单纯疱疹病毒，埃普斯坦-巴尔病毒，水痘-带状疱疹病毒，人类疱疹病毒6和7，以及卡波西疱疹病毒。
• [EN] THIOUREA INHIBITORS OF HERPES VIRUSES<br/>[FR] INHIBITEURS DE THIO-UREE DES VIRUS DE L'HERPES
  申请人：AMERICAN HOME PROD

  公开号：WO2000034269A1

  公开（公告）日：2000-06-15

  Compounds of formula (1) wherein, R1-R5 are independently selected from hydrogen, alkyl of 1 to 6 carbon atoms, alkenyl of 2 to 6 carbon atoms, alkynyl of 2 to 6 carbon atoms, perhaloalkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 10 carbon atoms, heterocycloalkyl of 3 to 10 carbon members, aryl, heteroaryl, halogen, -CN, -NO2, -CO2R6,-COR6, -OR6, -SR6, -SOR6, -SO2R6, -CONR7R8, -NR6N(R7R8), -N(R7R8) or W-Y-(CH2)n-Z; or R2 and R3 or R3 and R4, taken together from a 3 to 7 membered heterocycloalkyl or 3 to 7 membered heteroaryl; R6 and R7 are independently hydrogen, alkyl of 1 to 6 carbon atoms, perhaloalkyl of 1 to 6 carbon atoms, or aryl; R8 is hydrogen, alkyl of 1 to 6 carbon atoms, perhaloalkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 10 carbon atoms, heterocycloalkyl of 3 to 10 members, aryl or heteroaryl, or R7 and R8, taken together may form a 3 to 7 membered heterocycloalkyl; A is heteroaryl; W is O, NR6, or is absent; Y is -(CO)- or -(CO2)-, or is absent; Z is alkyl of 1 to 4 carbon atoms, -CN, -CO2R6, COR6, -CONR7R8, -OCOR6, -NR6COR7, -OCONR6, -OR6, -SR6, -SOR6, -SO2R6, SR6N(R7R8), -N(R7R8) or phenyl; G is aryl or heteroaryl; X is a bond, -NH, alkyl of 1 to 6 carbon atoms, alkenyl of 1 to 6 carbon atoms, alkoxy of 1 to 6 carbon atoms, thioalkyl of 1 to 6 carbon atoms, alkylamino of 1 to 6 carbon atoms, or (CH)J; J is alkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, phenyl or benzyl; and n is an integer from 1 to 6; useful in the treatment of diseases associated with herpes viruses including human cytomegalovirus, herpes simplex viruses, Epstein-Barr virus, varicella-zoster virus, human herpes viruses -6 and -7, and Kaposi herpesvirus.

  式子（1）的化合物，其中R1-R5独立地选择自氢、1至6个碳原子的烷基、2至6个碳原子的烯基、2至6个碳原子的炔基、1至6个碳原子的全氟烷基、3至10个碳原子的环烷基、3至10个碳原子的杂环烷基、芳基、杂芳基、卤素、-CN、-NO2、- R6、-COR6、-OR6、-SR6、-SOR6、-SO2R6、-CONR7R8、-NR6N（R7R8）、-N（R7R8）或W-Y-(CH2)n-Z;或R2和R3或R3和R4，一起来自3至7个成员的杂环烷基或3至7个成员的杂芳基;R6和R7独立地为氢、1至6个碳原子的烷基、1至6个碳原子的全氟烷基或芳基;R8为氢、1至6个碳原子的烷基、1至6个碳原子的全氟烷基、3至10个碳原子的环烷基、3至10个成员的杂环烷基、芳基或杂芳基，或R7和R8一起可以形成3至7个成员的杂环烷基;A为杂芳基;W为O、NR6或不存在;Y为-(CO)-或-(CO2)-，或不存在;Z为1至4个碳原子的烷基、-CN、- R6、COR6、-CONR7R8、-OCOR6、-NR6COR7、-OCONR6、-OR6、-SR6、-SOR6、-SO2R6、SR6N（R7R8）、-N（R7R8）或苯基;G为芳基或杂芳基;X为键、-NH、1至6个碳原子的烷基、1至6个碳原子的烯基、1至6个碳原子的烷氧基、1至6个碳原子的硫代烷基、1至6个碳原子的烷基氨基或（CH）J;J为1至6个碳原子的烷基、3至7个碳原子的环烷基、苯基或苄基; n为1至6的整数;在治疗与疱疹病毒相关的疾病中有用，包括人类巨细胞病毒、单纯疱疹病毒、EB病毒、水痘-带状疱疹病毒、人类疱疹病毒-6和-7以及卡波西疱疹病毒。