3-甲基噻吩-2-甲基胺 | 104163-35-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-甲基噻吩-2-甲基胺
• 中文别名: (3-甲基-2-噻吩基)甲胺；2-氨甲基-3-甲基噻吩
• 英文名称: (3-methylthiophen-2-yl)methanamine
• CAS: 104163-35-1
• 化学式: C₆H₉NS
• mdl: MFCD02093988
• 分子量: 127.21
• InChiKey: SWZNXCABBUKIPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  78°C 4mm
• 密度：
  1.104±0.06 g/cm3(Predicted)
• 闪点：
  78°C/4mm
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与空气、酸或氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2934999090
• 包装等级：
  II
• 危险类别：
  8
• 危险品运输编号：
  2735
• 储存条件：
  密封存储于阴凉、干燥的仓库中，并远离氧化剂和空气。通常采用惰性气体进行保护。

SDS

Name:	(3-Methyl-2-thienyl)methylamine 97% Material Safety Data Sheet
Synonym:	2-Aminomethyl-3-methylthiophen
CAS:	104163-35-1

Section 1 - Chemical Product MSDS Name:(3-Methyl-2-thienyl)methylamine 97% Material Safety Data Sheet
Synonym:2-Aminomethyl-3-methylthiophen

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
104163-35-1	(3-Methyl-2-thienyl)methylamine	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
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.

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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.

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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# 104163-35-1: 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: Viscous liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 60 deg C @0.1mmHg
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: C6H9NS
Molecular Weight: 127

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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, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 104163-35-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(3-Methyl-2-thienyl)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, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
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 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# 104163-35-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 104163-35-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 104163-35-1 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：

  3-甲基噻吩-2-甲基胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 C₈H₁₁N₃OS₂
  参考文献：
  名称：

  二芳基甲烷骨架的系统构效关系 (SAR) 探索和高效新型尿酸转运蛋白 1 (URAT1) 抑制剂的发现

  摘要：

  为了系统地探索和更好地理解二芳基甲烷骨架在设计强效尿酸转运蛋白 1 (URAT1) 抑制剂时的构效关系 (SAR)，设计并合成了 33 种化合物（1a-1x 和 1ha-1hi），并测定了它们的体外 URAT1 抑制活性 (IC50)。三轮系统的 SAR 探索导致发现了一种高效的新型 URAT1 抑制剂，1h，其效力分别比母体 lesinurad 和苯溴马隆强 200 倍和 8 倍（IC50 = 0.035 μM 对人 URAT1 1 小时 vs lesinurad 和苯溴马隆分别为 7.18 μM 和 0.28 μM）。化合物 1h 是迄今为止我们实验室发现的最有效的 URAT1 抑制剂，也可与目前正在临床试验中开发的最有效的抑制剂相媲美。

  DOI：

  10.3390/molecules23020252
• 作为产物：
  描述：

  3-甲基噻吩 在 聚合甲醛 、 ammonium chloride 作用下， 生成 3-甲基噻吩-2-甲基胺
  参考文献：
  名称：

  噻吩的氨甲基化；改进了2-噻吩胺的合成。

  摘要：

  DOI：

  10.1021/ja01192a014

文献信息

• General and selective synthesis of primary amines using Ni-based homogeneous catalysts
  作者：Kathiravan Murugesan、Zhihong Wei、Vishwas G. Chandrashekhar、Haijun Jiao、Matthias Beller、Rajenahally V. Jagadeesh

  DOI：10.1039/d0sc01084g

  日期：——

  Ni-triphos complex as the first Ni-based homogeneous catalyst for both reductive amination of carbonyl compounds with ammonia and hydrogenation of nitroarenes to prepare all kinds of primary amines. Remarkably, this Ni-complex enabled the synthesis of functionalized and structurally diverse benzylic, heterocyclic and aliphatic linear and branched primary amines as well as aromatic primary amines starting

  通过应用丰富且原子经济的试剂来开发用于工业上相关的胺化和氢化反应的贱金属催化剂，对于经济高效且可持续地合成代表非常重要的化学物质的胺而言，仍然至关重要。尤其是，伯胺的合成至关重要，因为这些化合物用作生产增值精细化学品和散装化学品以及药品，农用化学品和原料的关键前体和主要中间体。在这里，我们报道了一种Ni-triphos络合物，它是第一个用于镍的羰基化合物与氨的还原胺化和硝基芳烃加氢制备各种伯胺的Ni基均相催化剂。值得注意的是，这种镍配合物可以合成功能化且结构多样的苄基，杂环和脂肪族直链和支链伯胺以及芳香族伯胺，是使用氨和分子氢从廉价且易于获得的羰基化合物（醛和酮）和硝基芳烃开始的。这种镍催化的还原胺化方法已用于胺化更复杂的药物和类固醇衍生物。已经对基于Ni-triphos的还原胺化反应进行了详细的DFT计算，结果表明整个反应具有H的内球机理。这种镍催化的还原胺化方法已用于胺化更复杂的药物和
• Novel flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof
  申请人：Tachdjian Catherine

  公开号：US20050084506A1

  公开（公告）日：2005-04-21

  The present invention relates to the discovery that certain non-naturally occurring, non-peptide amide compounds and amide derivatives, such as oxalamides, ureas, and acrylamides, are useful flavor or taste modifiers, such as a flavoring or flavoring agents and flavor or taste enhancer, more particularly, savory (the “umami” taste of monosodium glutamate) or sweet taste modifiers,—savory or sweet flavoring agents and savory or sweet flavor enhancers, for food, beverages, and other comestible or orally administered medicinal products or compositions.

  本发明涉及发现，某些非天然存在的非肽酰胺化合物和酰胺衍生物，如草酰胺、脲和丙烯酰胺，可用作风味或口味调节剂，例如风味或调味剂和风味或口味增强剂，更具体地说，是用于食品、饮料和其他可食用或口服药品或组合物的风味或口味调节剂，包括鲜味（味精的“鲜味”）或甜味调节剂，鲜味或甜味调味剂以及鲜味或甜味增强剂。
• [EN] NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS<br/>[FR] NOUVELLES AMIDINES DE THIOPHENE, COMPOSITIONS DE CES AMIDINES ET PROCEDE POUR TRAITER DES MALADIES ET DES ETATS MEDIES PAR LE COMPLEMENT
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2003099805A1

  公开（公告）日：2003-12-04

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula (I) or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R1, R2, R3, R4 and R7 are defined in the specification, Z is SO or SO2, and Ar is an aromatic or heteroaromatic group as defined herein.

  揭示了一种治疗急性或慢性疾病症状的方法，该方法通过补体级联的经典途径介导，包括向需要此类治疗的哺乳动物施用化合物I的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中规范中定义了R1、R2、R3、R4和R7，Z为SO或SO2，Ar为本规范中定义的芳香族或杂环芳基。
• Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20040009995A1

  公开（公告）日：2004-01-15

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3 , R 4 and R 7 are defined in the specification, Z is SO or SO 2 , and Ar is an aromatic or heteroaromatic group as defined herein.

  揭示了一种治疗急性或慢性疾病症状的方法，该方法通过补体级联的经典途径介导，包括向需要此类治疗的哺乳动物施用公式I的化合物的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中在规范中定义了R1、R2、R3、R4和R7，Z为SO或SO2，Ar为本文中定义的芳香族或杂环芳基。
• Substituted bis-amide metalloprotease inhibitors
  申请人：Sucholeiki Irving

  公开号：US20070155739A1

  公开（公告）日：2007-07-05

  This invention relates to substituted bis-amide pyrimidine compounds of Formula (I), which are useful for the treatment of metalloprotease mediated diseases, in particular MMP-13 related diseases.

  这项发明涉及Formula (I)的取代双酰胺嘧啶化合物，这些化合物对于治疗金属蛋白酶介导的疾病，特别是MMP-13相关疾病是有用的。