2-[(2,6-二氯苄基)硫代]乙胺 | 48133-71-7

• 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: 2-[(2,6-二氯苄基)硫代]乙胺
• 中文别名: {2-[(2,6-二氯苄基)硫代]乙基}胺；2-[(2,6-二氯苯基)甲基硫基]乙胺；2-[(2,6-二氯苯基)甲巯基]乙胺
• 英文名称: 2-(2,6-dichloro-benzylsulfanyl)-ethylamine
• 英文别名: 2-[(2,6-dichlorophenyl)methylsulfanyl]ethanamine
• CAS: 48133-71-7
• 化学式: C₉H₁₁Cl₂NS
• mdl: MFCD00052684
• 分子量: 236.165
• InChiKey: VCKWYLGEZYGACK-UHFFFAOYSA-N

物化性质

• 沸点：
  140 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.3
• 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
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090

SDS

Name:	2-[(2 6-Dichlorobenzyl)thio]ethylamine 97% Material Safety Data Sheet
Synonym:
CAS:	48133-71-7

Section 1 - Chemical Product MSDS Name:2-[(2 6-Dichlorobenzyl)thio]ethylamine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
48133-71-7	2-[(2,6-Dichlorobenzyl)thio]ethylamine	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# 48133-71-7: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 152 - 154 deg C @0.7mmHg
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: C9H11Cl2NS
Molecular Weight: 236

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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:
Hydrogen chloride, chlorine, 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# 48133-71-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[(2,6-Dichlorobenzyl)thio]ethylamine - 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: I
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 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# 48133-71-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 48133-71-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 48133-71-7 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：

  2-[(2,6-二氯苄基)硫代]乙胺 、 (2S)-3-(4-carboxymethoxy-phenyl)-2-methoxy-propionic acid ethyl ester 生成 (2S)-3-(4-{[2-(2,6-dichloro-benzylsulfanyl)-ethylcarbamoyl]-methoxy}-phenyl)-2-methoxy-propionic acid
  参考文献：
  名称：

  [EN] AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS
  [FR] MODULATEURS DE RECEPTEUR ACTIVE DE LA PROLIFERATION DES PEROXISOMES A LIEUR AMIDE

  摘要：

  本发明涉及结构式(I)的化合物、组合物及其使用。

  公开号：

  WO2004000789A1
• 作为产物：
  描述：

  半胱胺盐酸盐 、 2,6-二氯氯苄 在 lithium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.67h， 以80%的产率得到2-[(2,6-二氯苄基)硫代]乙胺
  参考文献：
  名称：

  A new strategy for the synthesis of β-benzylmercaptoethylamine derivatives

  摘要：

  Here, we describe a new experimental approach to the synthesis of the beta-benzylmercaptoethylamine functionality, and illustrate its synthetic utility in multi-component reactions. Although prevalent in modern organic synthesis, no general methods have been described for this functionality. Using a carefully developed LiOH-water-ethanol reaction mixture, we were able to produce a diverse collection of beta-benzylmercaptoethylamines containing a range of sensitive functional groups in excellent yields. To further illustrate their utility in molecular library synthesis, we also report the use of beta-benzylmercaptoethylamines in five different multi-component reactions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.133

文献信息

• Cyclohexyl-1, 4-diamine compounds
  申请人：Sundermann Corinna

  公开号：US20070112007A1

  公开（公告）日：2007-05-17

  Novel cyclohexyl-1,4-diamine compounds corresponding to formula I, processes for the production thereof, pharmaceutical compositions containing these compounds, methods of producing pharmaceutical compositions including these compounds and related methods of treating or inhibiting certain diseases or conditions.

  新型环己基-1,4-二胺化合物对应于式I，其生产方法，包含这些化合物的药物组合物，制备包含这些化合物的药物组合物的方法以及相关的治疗或抑制某些疾病或状况的方法。
• Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs
  申请人：Frank Robert

  公开号：US20080300256A1

  公开（公告）日：2008-12-04

  Substituted 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridin-2-ylamine compounds corresponding to formula I, methods for the preparation thereof, pharmaceutical compositions containing said compounds, the use of said compounds for preparing pharmaceutical compositions and related treatment methods.

  替代5,6,7,8-四氢咪唑[1,2-a]吡啶-2-胺化合物的公式I，其制备方法，含有该化合物的药物组合物，使用该化合物制备药物组合物以及相关治疗方法。
• INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE
  申请人：Hurley Timothy Brian

  公开号：US20090203694A1

  公开（公告）日：2009-08-13

  The present invention relates to compounds that are selective and/or potent inhibitors of UPPS. In addition to compounds which inhibit UPPS, the invention also provides pharmaceutical compositions comprising these compounds and methods of using these compounds for treating bacterial disease, such as bacterial infection.

  本发明涉及一种选择性和/或强效抑制UPPS的化合物。除了抑制UPPS的化合物外，本发明还提供包含这些化合物的药物组合物以及使用这些化合物治疗细菌性疾病（如细菌感染）的方法。
• NPYY5 antagonists
  申请人：Shionogi&Co., Ltd.

  公开号：EP2014285A1

  公开（公告）日：2009-01-14

  The present invention provides a pharmaceutical composition for use as an NPY Y5 receptor antagonist comprising a compound of the formula (I): wherein R1 is lower alkyl, cycloalkyl or the like, R2 is hydrogen, lower alkyl or the like, n is 1 or 2, X is lower alkylene, lower alkenylene, arylene, cycloalkylene or the like, Y is CONR7, CSNR7, NR7CO, NR7CS or the like, Z is lower alkyl, optionally substituted carbocyclyl, optionally substituted heterocyclyl or the like and R7 is hydrogen or lower alkyl, prodrug, pharmaceutically acceptable salt or solvate thereof

  本发明提供了一种用作 NPY Y5 受体拮抗剂的药物组合物，该组合物由式（I）化合物组成： 其中 R1 是低级烷基、环烷基或类似物、 R2 是氢、低级烷基或类似物、 n 是 1 或 2、 X 是低级烯烃、低级烯烃、芳基、环烷烃或类似物、 Y 是 CONR7、CSNR7、NR7CO、NR7CS 或类似物、 Z 是低级烷基、任选取代的碳环烷基、任选取代的杂环烷基或类似物，R7 是氢或低级烷基、 其原药、药学上可接受的盐或溶液
• SYNTHESIS OF N-SUBSTITUTED OLIGOMERS
  申请人：CHIRON CORPORATION

  公开号：EP0789577B1

  公开（公告）日：2003-03-12