2-[（2-本氧基乙基）硫代]乙酸 | 75434-70-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-[（2-本氧基乙基）硫代]乙酸
• 中文别名: 2-[(2-苯氧基乙基)硫代]乙酸
• 英文名称: (2-phenoxy-ethylsulfanyl)-acetic acid
• 英文别名: (2-Phenoxy-aethylmercapto)-essigsaeure；2-[(2-Phenoxyethyl)Thio]Acetic Acid；2-(2-phenoxyethylsulfanyl)acetic acid
• CAS: 75434-70-7
• 化学式: C₁₀H₁₂O₃S
• mdl: MFCD00085152
• 分子量: 212.269
• InChiKey: SHWKIHWUFNTMIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090

SDS

Name:	2-[(2-Phenoxyethyl)thio]acetic acid 97% Material Safety Data Sheet
Synonym:
CAS:	75434-70-7

Section 1 - Chemical Product MSDS Name:2-[(2-Phenoxyethyl)thio]acetic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
75434-70-7	2-[(2-Phenoxyethyl)thio]acetic acid	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. Wash mouth out with 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:
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 water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 75434-70-7: 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: Not available.
Freezing/Melting Point: 44 - 46 deg C
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: C10H12O3S
Molecular Weight: 212

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Bases, oxidizing agents, reducing agents, acid chlorides.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 75434-70-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[(2-Phenoxyethyl)thio]acetic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 75434-70-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 75434-70-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 75434-70-7 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-本氧基乙基）硫代]乙酸 在 ammonium molybdate 、 双氧水 作用下， 以 甲醇 为溶剂， 以80%的产率得到2-(phenoxyethylsulfonyl)acetic acid
  参考文献：
  名称：

  Elimination and addition reactions. 36. Acceleration of nucleophilic eliminative ring fission by bond strain

  摘要：

  DOI：

  10.1021/ja00547a011
• 作为产物：
  描述：

  Ethyl (2-phenoxyethylthio)acetate 在 硫酸 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 以83%的产率得到2-[（2-本氧基乙基）硫代]乙酸
  参考文献：
  名称：

  Elimination and addition reactions. 36. Acceleration of nucleophilic eliminative ring fission by bond strain

  摘要：

  DOI：

  10.1021/ja00547a011

文献信息

• Macrolides with antibacterial activity
  申请人：——

  公开号：US20030199459A1

  公开（公告）日：2003-10-23

  The invention provides new macrolides antibiotics of formula (I) with improved biological properties and improved stability formula (I): wherein R 1 is hydrogen, cyano, —S(L) m R 2 , —S(O)(L) m R 2 , or —S(O) 2 (L) m R 2 ; L represents —(CH 2 ) n — or —(CH 2 ) n Z(CH 2 ) n′ —-; m is 0 or 1; n is 1, 2, 3, or 4; n′ is 0, 1, 2, 3, or 4; Z is O, S or NH; R2 is hydrogen, alkyl, heterocyclyl or aryl; which heterocyclyl and the aryl groups may be further substituted; * indicates a chiral center which is in the (R) or (S) form and pharmaceutically acceptable acid addition salts or in vivo cleavable esters thereof. 1

  该发明提供了具有改进生物性能和改进稳定性的新大环内酯类抗生素的公式(I)：其中R1为氢、氰基、—S(L)mR2、—S(O)(L)mR2或—S(O)2(L)mR2；L代表—(CH2)n—或—(CH2)nZ(CH2)n′—；m为0或1；n为1、2、3或4；n′为0、1、2、3或4；Z为O、S或NH；R2为氢、烷基、杂环烷基或芳基；其中杂环烷基和芳基基团可能进一步取代；*表示手性中心，为(R)或(S)形式，以及其药学上可接受的酸盐或体内可水解酯。
• [DE] ARYLSUBSTITUIERTE HETEROZYKLEN, VERFAHREN ZU IHRER HERSTELLUNG UND IHRE VERWENDUNG ALS ARZNEIMITTEL<br/>[EN] ARYL SUBSTITUTED HETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS<br/>[FR] HETEROCYCLES ARYL-SUBSTITUES, PROCEDE POUR LEUR PRODUCTION ET LEUR UTILISATION COMME MEDICAMENTS
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2005070925A1

  公开（公告）日：2005-08-04

  Die Erfindung betrifft substituierte arylsubstituierte Heterozyklen sowie deren physiologisch verträgliche Salze und physiologisch funktionelle Derivate, Verfahren zu ihrer Herstellung und ihre Verwendung als Arzneimittel. Es werden Verbindungen der Formel (I), worin die Reste die angegebenen Bedeutungen haben, deren N-Oxide, sowie deren physiologisch verträglichen Salze und Verfahren zu deren Herstellung beschrieben. Die Verbindungen bewirken z.B. eine Gewichtsreduktion bei Säugetieren und sind z.B. zur Prävention und Behandlung von Obesitas und Diabetes geeignet.

  这项发明涉及取代芳基取代的杂环化合物及其生理相容盐和生理功能衍生物，以及它们的制备方法和作为药物的用途。描述了式（I）的化合物，其中残基具有所指定的含义，它们的N-氧化物以及其生理相容盐和制备方法。这些化合物可导致哺乳动物体重减轻，例如适用于肥胖症和糖尿病的预防和治疗。
• Aryl-substituted heterocycles, process for their preparation and their use as medicaments
  申请人：Schwink Lothar

  公开号：US20050176710A1

  公开（公告）日：2005-08-11

  The invention relates to substituted aryl-substituted heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof, to process for their preparation and to their use as medicaments. Compounds of the Formula I in which the radicals have the stated meanings, the N-oxides thereof, and the physiologically tolerated salts thereof, and process for the preparation thereof are described. The compounds bring about for example a weight reduction in mammals and are suitable for example for the prevention and treatment of obesity and diabetes.

  该发明涉及取代芳基取代杂环化合物及其生理上可耐受的盐和生理功能衍生物，以及其制备方法和用作药物的用途。描述了式I中的化合物，其中基团具有陈述的含义，其N-氧化物以及生理上可耐受的盐，以及其制备方法。这些化合物例如可导致哺乳动物体重减轻，并且例如适用于肥胖和糖尿病的预防和治疗。
• ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：Schwink Lothar

  公开号：US20080207707A1

  公开（公告）日：2008-08-28

  The invention relates to substituted aryl-substituted heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof, to process for their preparation and to their use as medicaments. Compounds of the formula I in which the radicals have the stated meanings, the N-oxides thereof, and the physiologically tolerated salts thereof, and process for the preparation thereof are described. The compounds bring about for example a weight reduction in mammals and are suitable for example for the prevention and treatment of obesity and diabetes.

  本发明涉及取代芳基取代的杂环化合物及其生理上耐受的盐和生理上功能的衍生物，以及它们的制备方法和作为药物的用途。描述了式I的化合物，其中基团具有所述的含义，其N-氧化物和生理上耐受的盐，以及其制备方法。这些化合物可以在哺乳动物中导致体重减轻，例如适用于肥胖和糖尿病的预防和治疗。
• Novel mch receptor antagonists
  申请人：Gillig Ronald James

  公开号：US20070135485A1

  公开（公告）日：2007-06-14

  The present invention relates to a melanin concentrating hormone antagonist compound of formula I: or a pharmaceutically acceptable salt thereof, useful for the treamtment useful fog treating Type H diabetes and/or obesity.

  本发明涉及一种公式I的黑色素浓集激素拮抗剂化合物或其药学上可接受的盐，用于治疗H型糖尿病和/或肥胖症。