(1-苄基-1H-咪唑-2-基)甲基胺 | 26163-58-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (1-苄基-1H-咪唑-2-基)甲基胺
• 中文别名: (1-苄基-1H-咪唑基-2-基)甲胺
• 英文名称: (1-benzylimidazol-2-yl)methylamine
• 英文别名: 2-(aminomethyl)-1-benzylimidazole；1-benzyl-2-(aminomethyl)imidazole；C-(1-benzyl-1H-imidazol-2-yl)-methylamine；N-Benzyl-2-aminomethyl-imidazol；(1-Benzyl-1H-imidazol-2-yl)methanamine；(1-benzylimidazol-2-yl)methanamine
• CAS: 26163-58-6
• 化学式: C₁₁H₁₃N₃
• mdl: MFCD03086167
• 分子量: 187.244
• InChiKey: WAKASDKZDPCQPA-UHFFFAOYSA-N

物化性质

• 沸点：
  340.4±25.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R20/21/22,R34
• 海关编码：
  2933290090

SDS

Name:	(1-Benzyl-1H-imidazol-2-yl)methylamine 97% Material Safety Data Sheet
Synonym:	None
CAS:	26163-58-6

Section 1 - Chemical Product MSDS Name:(1-Benzyl-1H-imidazol-2-yl)methylamine 97% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
26163-58-6	(1-Benzyl-1H-imidazol-2-yl)methylamine	97	unlisted

Hazard Symbols: C
Risk Phrases: 20/21/22 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

---

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# 26163-58-6: 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 or liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C11H13N3
Molecular Weight: 187.25

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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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 26163-58-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(1-Benzyl-1H-imidazol-2-yl)methylamine - 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
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 3259
Packing Group: III
IMO
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing Group: III
RID/ADR
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 34 Causes burns.
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.
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# 26163-58-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26163-58-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26163-58-6 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：

  p-[N-(3,4-dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-ethylamino]benzoyl azide 、 (1-苄基-1H-咪唑-2-基)甲基胺 以to give N-(1-benzylimidazol-2-yl)methyl-p-[N-(3,4-dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-ethylamino]benzamide (containing 1.3 equivalents of water) in 21% yield, m.p. 217°-221° C.的产率得到N-(1-benzylimidazol-2-yl)methyl-p-[N-(3,4-dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-ethylamino]benzamide
  参考文献：
  名称：

  6-substituted quinazolines processing anti-tumor activity

  摘要：

  本发明涉及具有抗肿瘤活性的喹唑啉衍生物或其药学上可接受的盐，以及制造它们的过程和含有它们的药物组合物。本发明提供了一个喹唑啉的公式：##STR1##其中R.sup.1是氢或氨基，或者每个碳原子不超过6个的烷基或烷氧基；或者R.sup.1是取代的每个碳原子不超过3个的烷基或烷氧基；R.sup.2是氢，烷基，烯基，炔基，羟基烷基，卤代烷基或氰基烷基，每个碳原子不超过6个；Ar是苯基或杂环基；L是公式--CO.NH--，--NH.CO--，--CO.NR.sup.3--，--NR.sup.3.CO--，--CH.dbd.CH--，--CH.sub.2O--，--OCH.sub.2--，--CH.sub.2S--，--SCH.sub.2--，--CO.CH.sub.2--，--CH.sub.2.CO--或--CO.O--的基团，其中R.sup.3是不超过6个碳原子的烷基；Y是芳基或杂芳基或其氢化衍生物；或者Y是公式--A--Y.sup.1的基团，在其中A是不超过6个碳原子的烷基，环烷基，烯基或炔基，而Y.sup.1是芳基或杂芳基或其氢化衍生物；或其药学上可接受的盐。

  公开号：

  US05395838A1
• 作为产物：
  描述：

  1-苄基-1H-咪唑-2-甲醛 在 镍 盐酸羟胺 、 氢气 、 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 4.67h， 生成 (1-苄基-1H-咪唑-2-基)甲基胺
  参考文献：
  名称：

  Some benzyl-substituted imidazoles, triazoles, tetrazoles, pyridinethiones, and structural relatives as multisubstrate inhibitors of dopamine .beta.-hydroxylase. 4. Structure-activity relationships at the copper binding site

  摘要：

  Structure-activity relationships (SAR) were determined for novel multisubstrate inhibitors of dopamine beta-hydroxylase (DBH; EC 1.14.17.1) by examining the effects upon in vitro inhibitory potencies resulting from structural changes at the copper-binding region of inhibitor. Attempts were made to determine replacement groups for the thione sulfur atom of the prototypical inhibitor 1-(4-hydroxybenzyl)imidazole-2-thione described previously. The synthesis and evaluation of oxygen and nitrogen analogues of the soft thione group demonstrated the sulfur atom to be necessary for optimal activity. An additional series of imidazole-2-thione relatives was prepared in an effort to probe the relationship between the pKa of the ligand group and inhibitory potency. In vitro inhibitory potency was shown not to correlate with ligand pKa over a range of approximately 10 pKa units, and a rationale for this is advanced. Additional ligand modifications were prepared in order to explore bulk tolerance at the enzyme oxygen binding site and to determine the effects of substituting a six-membered ligand group for the five-membered imidazole-2-thione ligand.

  DOI：

  10.1021/jm00164a051

文献信息

• Substituted Benzene Compounds
  申请人：Epizyme, Inc.

  公开号：US20140315945A1

  公开（公告）日：2014-10-23

  The present invention relates to azole compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

  本发明涉及唑类化合物。本发明还涉及含有这些化合物的药物组合物以及通过向需要的受试者投予这些化合物和药物组合物来治疗癌症的方法。本发明还涉及将这些化合物用于研究或其他非治疗目的的用途。
• Dopamine-beta hydroxylase inhibitors
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP0359505A1

  公开（公告）日：1990-03-21

  Dopamine-β-hydroxylase inhibitors of structure: in which R¹ is pyridyl or pyridylalkyl, pharmaceutical compositions containing them and their use in therapy in lowering blood pressure.

  多巴胺-β-羟化酶抑制剂的结构：其中R¹为吡啶基或吡啶基烷基，包含它们的药物组合物以及它们在降低血压治疗中的用途。
• Dopamine-beta-hydroxylase inhibitors
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP0371732A1

  公开（公告）日：1990-06-06

  Dopamine-β-hydroxylase inhibitors of structure: pharmaceutical compositions containing them and their use in methods of lowering blood pressure in mammals.

  多巴胺-β-羟化酶抑制剂的结构：含有它们的药物组合物及其在降低哺乳动物血压方法中的应用。
• Dopamine-B-Hydroxylase inhibitors
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP0371730A1

  公开（公告）日：1990-06-06

  Dopamine-β-hydroxylase inhibitors of structure: pharmaceutical compositions containing them and their use in methods of lowering blood pressure in mammals.

  多巴胺-β-羟化酶抑制剂的结构：包含它们的制药组合物以及它们在哺乳动物降低血压方法中的应用。
• Anti-tumor agents
  申请人：Imperial Chemical Industries plc

  公开号：US05252573A1

  公开（公告）日：1993-10-12

  The invention relates to quinazoline derivatives, or pharmaceutically-acceptable salts thereof, which possess anti-tumour activity; to processes for their manufacture; and to pharmaceutical compositions containing them. The invention provides a quinazoline of the formula: ##STR1## wherein R.sup.1 is hydrogen or amino, or alkyl or alkoxy each of up to 6 carbon atoms; or R.sup.1 is substituted alkyl or alkoxy each of up to 3 carbon atoms; R.sup.2 is hydrogen, alkyl, alkenyl, alkynyl, hydroxyalkyl, halogenoalkyl or cyanoalkyl each of up to 6 carbon atoms; Ar is phenylene or heterocyclene; L is a group of the formula --CO.NH--, --NH.CO--, --CO.NR.sup.3 --, --NR.sup.3.CO--, --CH.dbd.CH--, --CH.sub.2 O--, --OCH.sub.2 --, --CH.sub.2 S--, --SCH.sub.2 --, --CO.CH.sub.2 --, --CH.sub.2 CO-- or --CO.O--, wherein R.sup.3 is alkyl of up to 6 carbon atoms; and Y is aryl or heteroaryl or a hydrogenated derivative thereof; or Y is a group of the formula --A--Y.sup.1 in which A is alkylene, cycloalkylene, alkenylene or alkynylene each of up to 6 carbon atoms and Y.sup.1 is aryl or heteroaryl or a hydrogenated derivative thereof; or a pharmaceutically-acceptable salt thereof.

  本发明涉及具有抗肿瘤活性的喹嗪衍生物或其药学上可接受的盐，以及其制备方法和含有它们的制药组合物。本发明提供了一种喹嗪，其化学式为：##STR1## 其中R.sup.1是氢或氨基，或碳数不超过6的烷基或烷氧基；或R.sup.1是取代的碳数不超过3的烷基或烷氧基；R.sup.2是氢、烷基、烯基、炔基、羟基烷基、卤代烷基或氰基烷基，其碳数不超过6；Ar是苯基或杂环基；L是式子--CO.NH--、--NH.CO--、--CO.NR.sup.3 --、--NR.sup.3.CO--、--CH.dbd.CH--、--CH.sub.2 O--、--OCH.sub.2 --、--CH.sub.2 S--、--SCH.sub.2 --、--CO.CH.sub.2 --、--CH.sub.2 CO--或--CO.O--的基团，其中R.sup.3是碳数不超过6的烷基；Y是芳基或杂芳基或其氢化衍生物；或Y是式子--A--Y.sup.1的基团，其中A是碳数不超过6的烷基、环烷基、烯基或炔基，Y.sup.1是芳基或杂芳基或其氢化衍生物；或其药学上可接受的盐。