4-(2-胺乙基)硫代吗啉 | 53515-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 中文名称: 4-(2-胺乙基)硫代吗啉
• 中文别名: 4-(2-氨乙基)硫代吗啉；2-硫代吗啉基乙胺
• 英文名称: 4-(2-aminoethyl)thiomorpholine
• 英文别名: 2-thiomorpholin-4-ylethanamine
• CAS: 53515-36-9
• 化学式: C₆H₁₄N₂S
• mdl: MFCD02179434
• 分子量: 146.257
• InChiKey: ZMBVBAVBXVSHER-UHFFFAOYSA-N

物化性质

• 沸点：
  78-81/0.6mm
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 危险品运输编号：
  UN 2735

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(2-Aminoethyl)thiomorpholine
Synonyms: 2-(Thiomorpholin-4-yl)ethylamine

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-(2-Aminoethyl)thiomorpholine
CAS number: 53515-36-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H14N2S
Molecular weight: 146.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(2-胺乙基)硫代吗啉 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 4-bromo-2-(4-methylpiperazin-1-ylmethyl)-6-[{2-(thiomorpholin-4-yl)ethyl}aminomethyl]phenol
  参考文献：
  名称：

  不对称的Dicopper（II）络合物作为儿茶酚氧化酶模型-相邻的硫醚基团增加了儿茶酚酶活性。

  摘要：

  三个新的不对称区室二核配体，4-溴-2-（4-甲基哌嗪-1-基甲基）-6-[{2-（1-哌啶基）乙基}氨基甲基]苯甲基（HL1），4-溴-2- （4-甲基哌嗪-1-基甲基）-6-[{{2-（吗啉-4-基）乙基}氨基甲基]苯酚（HL2）和4-溴-2-（4-甲基哌嗪-1-基甲基）-6为了模拟3型铜蛋白的活性位点，已经合成了-[{{2-（thiomorpholin-4-yl）ethyl} aminomet hyl] phenol（HL3）。这些配体的双铜（II）配合物为靠近金属位点的硫醚基团的影响提供了第一个提示。基于溴酚的配体在酚环的位置2和6分别具有一个哌嗪臂和一个另外的二齿臂。用每种配体制备了双核铜（II）配合物，并对其结构进行了表征。发现铜离子具有方形锥体环境，以及内源性酚氧和外源性乙酸桥联的混合物。通过UV / Vis光谱，ESI-MS实验和DFT计算研究了配体单臂中杂原子对儿茶酚酶活性和溶液形态的影响。

  DOI：

  10.1002/chem.200400768
• 作为产物：
  描述：

  1-硫代吗啉乙腈 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 20.0h， 生成 4-(2-胺乙基)硫代吗啉
  参考文献：
  名称：

  降压药。1.噻嗪基，噻嗪酮基和噻唑啉基乙基胍的合成。

  摘要：

  DOI：

  10.1021/jm00257a022

文献信息

• Substituted sulfonamidobenzamides, antiarrhythmic agents and
  申请人：Schering A.G.

  公开号：US04544654A1

  公开（公告）日：1985-10-01

  Novel substituted sulfonamidobenzamides are described as useful antiarrhythmic agents. Their use in the treatment of cardiac arrhythmias, especially re-entrant arrhythmias, via the prolongation of the action potential of cardiac tissue is provided. Pharmaceutical formulations containing such compounds are also disclosed.

  小说替代磺胺基苯甲酰胺被描述为有用的抗心律失常药物。通过延长心脏组织的动作电位来治疗心律失常，特别是再入性心律失常。还公开了含有这些化合物的药物配方。
• Use of Rylene Derivatives as Photosensitizers in Solar Cells
  申请人：Pschirer Neil Gregory

  公开号：US20080269482A1

  公开（公告）日：2008-10-30

  Use of rylene derivatives I with the following definition of the variables: X together both —COOM; Y a radical -L-NR 1 R 2 (y1) -L-Z-R 3 (y2) the other radical hydrogen; together both hydrogen; R is optionally substituted (het)aryloxy, (het)arylthio; P is —NR 1 R 2 ; B is alkylene; optionally substituted phenylene; combinations thereof; A is —COOM; —SO 3 M; —PO 3 M 2 ; D is optionally substituted phenylene, naphthylene, pyridylene; M is hydrogen; alkali metal cation; [NR 5 ] 4 + ; L is a chemical bond; optionally indirectly bonded, optionally substituted (het)arylene radical; R 1 , R 2 are optionally substituted (cyclo)alkyl, (het)aryl; together optionally substituted ring comprising the nitrogen atom; Z is —O—; —S—; R 3 is optionally substituted alkyl, (het)aryl; R′ is hydrogen; optionally substituted (cyclo)alkyl, (het)aryl; R 5 is hydrogen; optionally substituted alkyl (het)aryl; m is 0, 1, 2; n, p m=0: 0, 2, 4 where: n+p=2, 4, if appropriate 0; m=1: 0, 2, 4 where: n+p=0, 2, 4; m=2: 0, 4, 6 where: n+p=0, 4, 6, or of mixtures thereof as photosensitizers in solar cells.

  使用以下变量定义的莱伦衍生物I的用途： X一起 两者都是-COOM; Y是一个基团 -L-NR 1 R 2 (y1) -L-Z-R 3 (y2) 另一个基团是氢; 一起 两者都是氢; R可选择地被取代为(het)芳氧基，(het)芳基硫基; P是-NR 1 R 2 ; B是烷基; 可选择地被取代的苯基; 它们的组合; A是-COOM; -SO 3 M; -PO 3 M 2 ; D可选择地被取代为苯基，萘基，吡啶基; M是氢; 碱金属阳离子; [NR 5 ] 4 + ; L是化学键; 可选择地间接键合，可选择地被取代的(het)芳基基团; R 1 ，R 2 可选择地被取代的(环)烷基，(het)芳基; 一起可选择地被取代的环，其中包括氮原子; Z是-O-; -S-; R 3 可选择地被取代的烷基，(het)芳基; R′是氢; 可选择地被取代的(环)烷基，(het)芳基; R 5 是氢; 可选择地被取代的烷基(het)芳基; m为0, 1, 2; n, p, m=0: 0, 2, 4其中：n+p=2, 4，如果适用为0; m=1: 0, 2, 4其中：n+p=0, 2, 4; m=2: 0, 4, 6其中：n+p=0, 4, 6， 或者作为太阳能电池中的光敏剂的混合物。
• [EN] C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS<br/>[FR] AMIDES C-28 DE DÉRIVÉS D'ACIDE BÉTULINIQUE MODIFIÉS EN C-3, UTILISÉS COMME INHIBITEURS DE MATURATION DU VIH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011153319A1

  公开（公告）日：2011-12-08

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, modified C-3 and C-28 betulinic acid derivatives that possess unique antiviral activity are provided as HIV maturation inhibitors. These compounds are useful for the treatment of HIV and AIDS.

  具有药物和生物活性的化合物、其药物组合物及其使用方法。特别是，提供了一种具有独特抗病毒活性的改性C-3和C-28桦木酸衍生物，用作HIV成熟抑制剂。这些化合物可用于治疗HIV和艾滋病。
• [EN] THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME<br/>[FR] COMPOSÉS TRICYCLIQUES À BASE DE THIOPÈNE ET COMPOSITIONS PHARMACEUTIQUES RENFERMANT LESDITS COMPOSÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003084959A1

  公开（公告）日：2003-10-16

  Compounds having the formula (I), and pharmaceutically-acceptable salts, hydrates and prodrugs thereof, are useful as anti-inflammatory agents, in which R1, R2, and R3 are hydrogen, halogen, alkyl, or perfluoroalkyl; R4 is an optionally substituted alkyl or cycloalkyl group; X is a linker; A is an aryl, heteroaryl, heterocycle, cycloalkyl, or is absent; and R7 is a substituent on A as defined in the specification.

  具有公式(I)的化合物，以及其中所述化合物的药物可接受的盐、水合物和前药，作为抗炎剂是有用的，其中R1、R2和R3是氢、卤素、烷基或全氟烷基；R4是可选地取代的烷基或环烷基团；X是连接基；A是芳基、杂芳基、杂环、环烷基，或是缺失的；R7是如说明书中定义的A上的取代基。
• [EN] METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES<br/>[FR] METHODES DE TRAITEMENT DE LA MALADIE D'ALZHEIMER PAR DES AMIDES D'ACIDE ARYL ALCANOIQUE
  申请人：ELAN PHARM INC

  公开号：WO2003103653A1

  公开（公告）日：2003-12-18

  Disclosed are methods for treating Alzheimer’s disease, and other diseases, and/or inhibiting beta-secretase enzyme, and/or inhibiting deposition of A beta peptide in a mammal, by use of compounds of formula 1 (1) wherein the variables R1-R8 and X are defined herein.

  揭示了一种治疗阿尔茨海默病和其他疾病，和/或抑制β-分泌酶，和/或通过使用式1（1）中定义的化合物在哺乳动物体内抑制Aβ肽的沉积的方法。其中变量R1-R8和X在此处定义。