N,N'-双-(4-甲氧苯亚甲基)-Α,Α'-二对甲苯胺 | 55290-05-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: N,N'-双-(4-甲氧苯亚甲基)-Α,Α'-二对甲苯胺
• 中文别名: N,N'-双(对甲氧亚苄基)-α,α'-联对甲苯胺；N,N-二(4-甲氧苄基)-a,a-双-对甲苯胺；N,N'-双-(4-甲氧苯亚甲基)-α,α'-二对甲苯胺
• 英文名称: N,N'-bis-(4-methoxy-benzylidene)-bibenzyl-4,4'-diyldiamine
• 英文别名: N,N'-Bis-(4-methoxy-benzyliden)-bibenzyl-4,4'-diyldiamin；4.4'-Bis-anisylidenamino-dibenzyl；4,4'-ethylenebis[N-(4-methoxybenzylidene)aniline]；N,N'-Bis-(p-methoxybenzyliden)-α,α'-bi-p-toluidin；Benzenamine, 4,4'-(1,2-ethanediyl)bis[N-[(4-methoxyphenyl)methylene]-；1-(4-methoxyphenyl)-N-[4-[2-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
• CAS: 55290-05-6
• 化学式: C₃₀H₂₈N₂O₂
• 分子量: 448.565
• InChiKey: FOSOJOKQJFZOKV-UHFFFAOYSA-N

物化性质

• 沸点：
  557.26°C (rough estimate)
• 密度：
  1.1404 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2925290090

SDS

Name:	N N -bis(p-methoxybenzylidene)-alpha alpha -bi-p-toluidine 99% Material Safety Data Sheet
Synonym:	4,4'-Ethylenebis[N-(4-methoxybenzylidene)aniline]; Benzenamine, 4,4'-(1,2-ethanediyl)bis[N-[(4-methoxyphenyl)methylene]
CAS:	55290-05-6

Section 1 - Chemical Product MSDS Name:N N -bis(p-methoxybenzylidene)-alpha alpha -bi-p-toluidine 99% Material Safety Data Sheet
Synonym:4,4'-Ethylenebis[N-(4-methoxybenzylidene)aniline]; Benzenamine, 4,4'-(1,2-ethanediyl)bis[N-[(4-methoxyphenyl)methylene]

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
55290-05-6	N,N'-Bis(p-methoxybenzylidene)-alpha,	99 (UV-V	259-570-6

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

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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.
Skin:
May cause skin irritation.
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.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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. 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.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 55290-05-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C30H28N2O2
Molecular Weight: 448.55

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 55290-05-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N,N'-Bis(p-methoxybenzylidene)-alpha, alpha'-bi-p-toluidine - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 55290-05-6: No information available.
Canada
CAS# 55290-05-6 is listed on Canada's NDSL List.
CAS# 55290-05-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 55290-05-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N,N'-双-(4-甲氧苯亚甲基)-Α,Α'-二对甲苯胺 、 硫代乳酸 以 苯 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  新型4,4'-双（2''-芳基-5''-甲基/未取代的4''-氧代-噻唑烷-3''-基）联苄基的合成及杀真菌活性。

  摘要：

  还原，然后硝化苯甲I，得到4,4'-二硝基联苄基（III），通过还原提供定量和分析纯的4,4'-二氨基联苄基（IV），与不同的羰基化合物缩合后得到4,4'-双（苄叉基氨基） ）联苄基（Va-f）。与巯基乙酸/ 2-巯基丙酸环加成的化合物（Va-f）产生相应的4-氧噻唑烷-3-基联苄基（VIa-1）。化合物VIg-1在每个噻唑烷酮部分中具有两个手性中心，因此可能存在两个非对映异构体，但是通过结晶和重复色谱法，获得了一个非对映异构体。非对映异构体的绝对构型是根据（1）1 H NMR谱图暂时确定的。（1）产物的1 H NMR谱图显示噻唑烷酮环的C（5）-CH（3）在δ1.22处具有明显的二重峰（22，23）和C（5）-H质子在4.20处的一个不同的四重奏。同样，C（2）质子在δ5.95处显示出独立的单峰，因此将获得的非对映异构体分配为反式构型。体外评价了化合物Va-f和VIa-1对尖孢镰刀菌和柠

  DOI：

  10.1021/jf0342324
• 作为产物：
  描述：

  4,4-二硝基联苄 在 palladium on activated charcoal 甲酸 、 zinc(II) chloride 、 锌 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 N,N'-双-(4-甲氧苯亚甲基)-Α,Α'-二对甲苯胺
  参考文献：
  名称：

  新型4,4'-双（2''-芳基-5''-甲基/未取代的4''-氧代-噻唑烷-3''-基）联苄基的合成及杀真菌活性。

  摘要：

  还原，然后硝化苯甲I，得到4,4'-二硝基联苄基（III），通过还原提供定量和分析纯的4,4'-二氨基联苄基（IV），与不同的羰基化合物缩合后得到4,4'-双（苄叉基氨基） ）联苄基（Va-f）。与巯基乙酸/ 2-巯基丙酸环加成的化合物（Va-f）产生相应的4-氧噻唑烷-3-基联苄基（VIa-1）。化合物VIg-1在每个噻唑烷酮部分中具有两个手性中心，因此可能存在两个非对映异构体，但是通过结晶和重复色谱法，获得了一个非对映异构体。非对映异构体的绝对构型是根据（1）1 H NMR谱图暂时确定的。（1）产物的1 H NMR谱图显示噻唑烷酮环的C（5）-CH（3）在δ1.22处具有明显的二重峰（22，23）和C（5）-H质子在4.20处的一个不同的四重奏。同样，C（2）质子在δ5.95处显示出独立的单峰，因此将获得的非对映异构体分配为反式构型。体外评价了化合物Va-f和VIa-1对尖孢镰刀菌和柠

  DOI：

  10.1021/jf0342324

文献信息

• Synthesis and Fungicidal Activity of Novel 4,4‘-Bis(2‘ ‘-aryl-5‘ ‘-methyl/unsubstituted-4‘ ‘-oxo-thiazolidin-3‘ ‘-yl) Bibenzyl
  作者：Ibadur R. Siddiqui、Pravin K. Singh、Jaya Singh、Jagdamba Singh

  DOI：10.1021/jf0342324

  日期：2003.11.1

  Reduction followed by nitration of benzil I yielded 4,4'-dinitrobibenzyl (III) which by reduction furnished quantitatively and analytically pure 4,4'-diaminobibenzyl (IV) which on condensation with different carbonyl compounds gave 4,4'-bis (benzylideneamino) bibenzyls (Va-f). Compounds (Va-f) on cycloaddition with mercaptoacetic acid/2-mercaptopropionic acid yielded the corresponding 4-oxothiazolidin-3-yl

  还原，然后硝化苯甲I，得到4,4'-二硝基联苄基（III），通过还原提供定量和分析纯的4,4'-二氨基联苄基（IV），与不同的羰基化合物缩合后得到4,4'-双（苄叉基氨基） ）联苄基（Va-f）。与巯基乙酸/ 2-巯基丙酸环加成的化合物（Va-f）产生相应的4-氧噻唑烷-3-基联苄基（VIa-1）。化合物VIg-1在每个噻唑烷酮部分中具有两个手性中心，因此可能存在两个非对映异构体，但是通过结晶和重复色谱法，获得了一个非对映异构体。非对映异构体的绝对构型是根据（1）1 H NMR谱图暂时确定的。（1）产物的1 H NMR谱图显示噻唑烷酮环的C（5）-CH（3）在δ1.22处具有明显的二重峰（22，23）和C（5）-H质子在4.20处的一个不同的四重奏。同样，C（2）质子在δ5.95处显示出独立的单峰，因此将获得的非对映异构体分配为反式构型。体外评价了化合物Va-f和VIa-1对尖孢镰刀菌和柠