三甲基甲基硫酸硫 - CAS号 2181-44-4

物化性质

熔点：

92-94 °C (lit.)

计算性质

辛醇/水分配系数(LogP)：

-0.41
重原子数：

10
可旋转键数：

0
环数：

0.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

75.8
氢给体数：

0
氢受体数：

4

安全信息

危险品标志：

Xi
安全说明：

S26,S36
危险类别码：

R36/37/38
WGK Germany：

3
海关编码：

2930909090
储存条件：

室温

SDS

SDS：ce95eac4f5896e231472f6c63d09515e

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Trimethylsulfonium methyl sulfate
CAS-No. : 2181-44-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C4H12O4S2
Molecular Weight : 188,27 g/mol
Component Concentration
Trimethylsulfonium methyl sulfate
CAS-No. 2181-44-4 -

Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Handle and store under inert gas. strongly hygroscopic
Specific end uses
no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 92 - 94 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Avoid moisture.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

用途：该试剂可用于醛和酮的亚甲基化反应，有效生成环氧化物。

反应信息

作为反应物：

描述：

三甲基甲基硫酸硫在 ruthenium(IV) oxide 、 sodium periodate 作用下，以水为溶剂，反应 4.5h，以1.31 g的产率得到trimethyloxosulfonium methyl sulfate

参考文献：

名称：

Forrester, Julie; Jones, Ray V. H.; Preston, Peter N., Journal of the Chemical Society. Perkin transactions I, 1995, # 18, p. 2289 - 2292

摘要：

DOI：
作为产物：

描述：

二甲基硫、硫酸二甲酯以乙腈为溶剂，生成三甲基甲基硫酸硫

参考文献：

名称：

盐酸戊乙奎醚的合成改进及杂质控制策略

摘要：

开发了一种可扩展的合成高纯度戊乙奎醚盐酸盐（HPLC 面积百分比为 99.9%）的工艺，无需分馏纯化，显着提高了总收率，并成功探索了稳健且经济高效的 Corey-Chaykovsky 反应。确定了每个步骤的关键参数和与工艺相关的杂质，并且本工作中报告的所有杂质均已独立合成，这可以促进对杂质谱的了解，并有可能促进药品标准的升级。

DOI：

10.1021/acs.oprd.3c00297
作为试剂：

描述：

3'-溴苯乙酮在 aluminium silicate 、三甲基甲基硫酸硫作用下，生成 2-(3-bromophenyl)propanal

参考文献：

名称：

Sugai, Saburo; Kodama, Takashi; Akaboshi, Sanya, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 1, p. 99 - 105

摘要：

DOI：

点击查看最新优质反应信息

文献信息

Divergent Enantioselective Synthesis of (−)-Galanthamine and (−)-Morphine

作者：Barry M. Trost、Weiping Tang、F. Dean Toste

DOI：10.1021/ja054449+

日期：2005.10.1

tricyclic intermediate is available in six steps from 2-bromovanillin and the monoester of methyl 6-hydroxycyclohexene-1-carboxylate. This intermediate requires only two steps to convert to (-)-galanthamine. Using a Heck vinylation, we found that the fourth ring of codeine/morphine could be formed. The final ring formation involves a novel visible light-promoted hydroamination. Thus, six steps are required

通过采用 Pd 催化的不对称烯丙基烷基化 (AAA) 来设置立体化学，出现了一种用于合成阿片类和石蒜科生物碱的有效发散合成策略。详细讨论了三代加兰他敏的合成，特别关注钯催化的 AAA 反应和分子内 Heck 反应的范围。关键的三环中间体可从 2-溴香草醛和 6-羟基环己烯-1-羧酸甲酯的单酯通过六个步骤获得。该中间体只需两个步骤即可转化为 (-)-雪花胺。使用 Heck 乙烯基化，我们发现可以形成可待因/吗啡的第四个环。最后的环形成涉及一种新型的可见光促进加氢胺化。因此，
Method of preparing C-18 ketones used in the manufacture of Vitamins E

申请人：Loyola University of Chicago

公开号：US05231232A1

公开（公告）日：1993-07-27

Methods of forming unsaturated C-18 ketones which can be used in the synthesis of Vitamins E and K.sub.1 are disclosed. One procedure involves coupling a C-9 primary allylic halide to a carbonyl-group-containing C-9 terminal alkyne. A second, two-step procedure employs a C-4 bis allylic halide (molar excess) and a carbonyl-group-containing C-9 terminal alkyne to form a C-13 primary allylic halide. The C-13 primary allylic halide can then be converted to the desired C-18 ketone by reaction with 2-methyl-3-butyn-2-ol. Novel C-18 ketones (e.g., 14-hydroxy-6,14-dimethyl-10-methylene-5-pentadecen-7,12-diyn-2-one), C-13 allylic halides (e.g., 10-chloromethyl-6-methyl-5,10-undecadien-7-yn-2-one) and C-9 allylic halides (e.g., 6-chloromethyl-2-methyl-6-hepten-3-yn-2-ol) are formed in the process.

形成不饱和C-18酮的方法已被披露，可用于合成维生素E和K.sub.1。其中一种方法涉及将C-9初级烯丙卤化物与含羰基的C-9末端炔烃偶联。第二种两步法使用C-4双烯丙卤化物（摩尔过量）和含羰基的C-9末端炔烃形成C-13初级烯丙卤化物。然后，C-13初级烯丙卤化物可以通过与2-甲基-3-丁炔-2-醇反应转化为所需的C-18酮。在这个过程中形成了新颖的C-18酮（例如，14-羟基-6,14-二甲基-10-亚甲基-5-十五烯-7,12-二炔-2-酮）、C-13烯丙卤化物（例如，10-氯甲基-6-甲基-5,10-十一烯-7-炔-2-酮）和C-9烯丙卤化物（例如，6-氯甲基-2-甲基-6-庚烯-3-炔-2-醇）。
[EN] 4-METHYL-2,3,5,9,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALENES<br/>[FR] 4-MÉTHYL-2,3,5,9,9B-PENTAAZA-CYCLOPENTA[A]NAPHTALÈNES

申请人：BOEHRINGER INGELHEIM INT

公开号：WO2014019979A1

公开（公告）日：2014-02-06

The invention relates to 4-methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalene derivatives of general formula (I) which are inhibitors of phosphodiesterase 2 and/or 10, useful in treating central nervous system diseases and other diseases. In addition, the invention relates to processes for preparing pharmaceutical compositions as well as processes for manufacture the compounds according to the invention.

该发明涉及一般式(I)的4-甲基-2,3,5,9,9b-五氮杂-环戊[α]萘衍生物，它们是磷酸二酯酶2和/或10的抑制剂，可用于治疗中枢神经系统疾病和其他疾病。此外，该发明涉及制备药物组合物的方法，以及根据该发明制造化合物的方法。
4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes

申请人：GIOVANNINI Riccardo

公开号：US20140045856A1

公开（公告）日：2014-02-13

The invention relates to 4-methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalene derivatives of general formula (I) which are inhibitors of phosphodiesterase 2 and/or 10, useful in treating central nervous system diseases and other diseases. In addition, the invention relates to processes for preparing pharmaceutical compositions as well as processes for manufacture the compounds according to the invention.

这项发明涉及一般式(I)的4-甲基-2,3,5,9,9b-五氮杂-环戊[α]萘衍生物，它们是磷酸二酯酶2和/或10的抑制剂，可用于治疗中枢神经系统疾病和其他疾病。此外，该发明涉及制备药物组合物的方法，以及根据该发明制造化合物的方法。
Farnesyltransferase inhibitors

申请人：——

公开号：US20030087940A1

公开（公告）日：2003-05-08

Substituted imidazoles and thiazoles having the formula 1 are useful for inhibiting farnesyltransferase. Also disclosed are farnesyltransferase-inhibiting compositions and methods of inhibiting farnesyltransferase in a patient.

具有以下化学式的取代咪唑和噻唑对抑制法尼基转移酶具有用处。还公开了抑制法尼基转移酶的组合物和在患者中抑制法尼基转移酶的方法。

三甲基甲基硫酸硫 | 2181-44-4

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

制备方法与用途

反应信息

文献信息

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