吡啶-2-醛肟甲基甲磺酸酯 | 154-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 吡啶-2-醛肟甲基甲磺酸酯
• 中文别名: 磷定甲磺酸酯；甲磺酸解磷肟；2-吡啶肟甲磺酸甲酯
• 英文名称: 2-((hydroxyimino)methyl)-1-methylpyridinium mesylate
• 英文别名: Contrathion；(Z)-Pralidoxime methylsulfonate；methanesulfonate;(NZ)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
• CAS: 154-97-2
• 化学式: CH₃O₃S*C₇H₉N₂O
• 分子量: 232.26
• InChiKey: WWZYJJGFUIAWNW-UHFFFAOYSA-N

物化性质

• 熔点：
  155°

计算性质

• 辛醇/水分配系数(LogP)：
  -0.52
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 储存条件：
  温度应保持在2-8℃之间。

SDS

LAss="properwRAp">

Date UPdated: 11/FEB/2006
VErsion 1.2
ReguLAtion (EC) No 1907/2006
________________________________________________________________________
1 - Product and Company InforMAtion
________________________________________________________________________
Product NAMe PYRIDINE-2-ALDOXIME METHYL
METHANESULFONATE
Product Number P0268
Company
CeNTury Ba-Shi Building 22A-B,
200020 Shanghai
TEC href=https://www.molaid.com/MS_8376 target="_blank">EChnical Phone # [phone]
Fax [phone]
E-MAil Address
________________________________________________________________________
2 - Hazards IdeNTification
________________________________________________________________________
________________________________________________________________________
3 - CompOSition/InforMAtion on IngredieNTa href=https://www.molaid.com/MS_83376 target="_blank">TS
________________________________________________________________________
Product NAMe CAS # EC no Annex I
Index Number
2-PYRIDINEALDOXIME METHYL 154-97-2 205-839-8 None
METHANE-SULFONATE, 95%
FormuLA C7H9N2O.CH3O3S
MolECuLAr Weight 232,2600 AMU
Synonyms CoNTRAthion * 2-Formyl-N-methylpyridinium oxime
methanesulfonat * 2-Formyl-1-methylpyridinium
methanesulfonate oxim *
2-Hydroxyiminomethyl-N-methylpyridinium
methanesulphonate *
N-Methylpyridinium-2-aldoxime methanesulphonate
* 1-Methylpyridinium-2-aldoxime methanesulfonate
* N-Methylpyridinium methane sulfonate
2-aldoxime * 2-PAM methanesulfonate *
PRAlidoxime mesyLAte * PRAlidoxime
methanesulfonate * PRAlidoxime methOSulfate *
ProtopAM methanesulfonate * P2S * Pyridinium,
2-aldoxime, N-methyl methanesulphonat *
Pyridinium, 2-((hydroxyimino)methyl)-1-methyl-,
methanesulfonate (salt) (9CI)
________________________________________________________________________
4 - FirST Aid Measures
________________________________________________________________________
AFTER INHALATION
If inhaled, remoVE to fresh air. If breathing bEComes difficult,
call a physician.
AFTER SKIN CONTACT
In case of skin coNTAhref=https://www.molaid.com/MS_112097 target="_blank">NTa href=https://www.molaid.com/MS_164855 target="_blank">TAct, flush with copious AMouNTa href=https://www.molaid.com/MS_83376 target="_blank">TS of water for
at leaST 15 minutes. RemoVE coNTAhref=https://www.molaid.com/MS_112097 target="_blank">NTa href=https://www.molaid.com/MS_164855 target="_blank">TAa href=https://www.molaid.com/MS_77914 target="_blank">AMinated clothing and shoes.
Call a physician.
AFTER EYE CONTACT
In case of coNTAhref=https://www.molaid.com/MS_112097 target="_blank">NTa href=https://www.molaid.com/MS_164855 target="_blank">TAct with eyes, flush with copious AMouNTa href=https://www.molaid.com/MS_83376 target="_blank">TS of
water for at leaST 15 minutes. Assure adequate flushing by
sepaRAting the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
________________________________________________________________________
5 - Fire Fighting Measures
________________________________________________________________________
EXTINGUISHING MEDIA
SuiTAble: Water SPRAy. Carbon dioxide, dry chemical powder, or
appropriate foAM.
SPECIAL RISKS
SPECific Hazard(s): EmiTS toxic fumes under fire coNDItions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-coNTAhref=https://www.molaid.com/MS_112097 target="_blank">NTa href=https://www.molaid.com/MS_164855 target="_blank">TAined breathing appaRAtus and proTEC href=https://www.molaid.com/MS_8376 target="_blank">ECtiVE clothing
to preVENT coNTAhref=https://www.molaid.com/MS_112097 target="_blank">NTa href=https://www.molaid.com/MS_164855 target="_blank">TAct with skin and eyes.
________________________________________________________________________
6 - AccideNTAhref=https://www.molaid.com/MS_112097 target="_blank">NTa href=https://www.molaid.com/MS_164855 target="_blank">TAl Release Measures
________________________________________________________________________
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear proTEC href=https://www.molaid.com/MS_8376 target="_blank">ECtiVE equIPMeNT.
METHODS FOR CLEANING UP
Sweep UP, pLAce in a bag and hold for waSTe diSPOSal. Avoid
RAising duST. VENTiLAte area and wash SPill site after MAterial
pickUP is complete.
________________________________________________________________________
7 - Handling and SToRAa href=https://www.molaid.com/MS_32333 target="_blank">AGE
________________________________________________________________________
STORAGE
STore at 2-8°C
________________________________________________________________________
8 - ExpOSure CoNTrols / Personal ProTEC href=https://www.molaid.com/MS_8376 target="_blank">ECtion
________________________________________________________________________
ENGINEERING CONTROLS
MEChanical exhauST required.
PERSONAL PROTECTIVE EQUIPMENT
SPECial ProTEC href=https://www.molaid.com/MS_8376 target="_blank">ECtiVE Measures: Wear appropriate goVErnmeNT approVEd
reSPiRAtor, chemical-resiSTa href=https://www.molaid.com/MS_164855 target="_blank">TANT gloVEs, safety goggles, other
proTEC href=https://www.molaid.com/MS_8376 target="_blank">ECtiVE clothing.
________________________________________________________________________
9 - Physical and Chemical Properties
________________________________________________________________________
pH N/A
BP/BP RAnge N/A
MP/MP RAnge 154,000. - 156,000 °
C.
FLAsh PoiNT N/A
FLAa href=https://www.molaid.com/MS_77914 target="_blank">AMMAbility N/A
Autoignition Temp N/A
Oxidizing Properties N/A
ExplOSiVE Properties N/A
ExplOSion LimiTS N/A
Vapor Pressure N/A
Partition CoefficieNT N/A
ViscOSity N/A
Vapor Density N/A
SatuRAted Vapor Conc. N/A
EvapoRAtion RAte N/A
Bulk Density N/A
DECompOSition Temp. N/A
SolVENT CoNTeNT N/A
Water CoNTeNT N/A
Surface Tension N/A
Conductivity N/A
MiscelLAneous DaTA N/A
Solubility N/A
________________________________________________________________________
10 - STABref=https://www.molaid.com/MS_19470 target="_blank">STa href=https://www.molaid.com/MS_164855 target="_blank">TAbility and Reactivity
________________________________________________________________________
STABILITY
STABref=https://www.molaid.com/MS_19470 target="_blank">STa href=https://www.molaid.com/MS_164855 target="_blank">TAble: STABref=https://www.molaid.com/MS_19470 target="_blank">STa href=https://www.molaid.com/MS_164855 target="_blank">TAble.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous DECompOSition ProducTS: Carbon monoxide, Carbon dioxide,
Nitrogen oxides, Sulfur oxides.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur
________________________________________________________________________
11 - Toxicological InforMAtion
________________________________________________________________________
RTECS NUMBER: UU4570000
ACUTE TOXICITY
LD50
ORAl
RAt
7000,000000 mg/kg
LD50
INTRAperitoneal
RAt
262 MG/KG
ReMArks: Lungs, ThoRAx, or ReSPiRAtion:DySPnea.
BehavioRAl:Convulsions or effECt on seizure threshold.
BehavioRAl:Tremor.
LD50
SubcuTAneous
RAt
332 MG/KG
ReMArks: Lungs, ThoRAx, or ReSPiRAtion:DySPnea.
BehavioRAl:Convulsions or effECt on seizure threshold.
BehavioRAl:Tremor.
LD50
INTRAVEnous
RAt
109 MG/KG
ReMArks: Lungs, ThoRAx, or ReSPiRAtion:DySPnea.
BehavioRAl:Convulsions or effECt on seizure threshold.
BehavioRAl:Tremor.
LD50
ORAl
Mouse
3700,000000 mg/kg
LD50
INTRAperitoneal
Mouse
132 MG/KG
LD50
SubcuTAneous
Mouse
165 MG/KG
ReMArks: Lungs, ThoRAx, or ReSPiRAtion:DySPnea.
BehavioRAl:Convulsions or effECt on seizure threshold.
BehavioRAl:Tremor.
LD50
INTRAVEnous
Mouse
118 MG/KG
LD50
INTRAa href=https://www.molaid.com/MS_77914 target="_blank">AMuscuLAr
Monkey
356 MG/KG
ReMArks: BehavioRAl:Tremor. BehavioRAl:Convulsions or effECt on
seizure threshold. Lungs, ThoRAx, or ReSPiRAtion:DySPnea.
LD50
INTRAVEnous
RAbbit
118 MG/KG
ReMArks: BehavioRAl:Convulsions or effECt on seizure threshold.
BehavioRAl:Muscle weakness. Lungs, ThoRAx, or
ReSPiRAtion:CyanOSis.
LD50
INTRAa href=https://www.molaid.com/MS_77914 target="_blank">AMuscuLAr
RAbbit
258 MG/KG
ReMArks: BehavioRAl:Convulsions or effECt on seizure threshold.
BehavioRAl:Muscle weakness. Lungs, ThoRAx, or
ReSPiRAtion:CyanOSis.
ROUTE OF EXPOSURE
Multiple Routes: MAy cause irriTAtion. MAy be harmful by
inhaLAtion, ingeSTion, or skin absorption.
CONDITIONS AGGRAVATED BY EXPOSURE
The toxicological properties haVE not been thoroughly
inVESTigated.
________________________________________________________________________
12 - ECological InforMAtion
________________________________________________________________________
No daTA avaiLAble.
________________________________________________________________________
13 - DiSPOSal ConsideRAtions
________________________________________________________________________
SUBSTANCE DISPOSAL
DissolVE or mix the MAterial with a combuSTible solVENT and burn
in a chemical incineRAtor equipped with an afterburner and
scrubber. ObserVE all fedeRAl, STa href=https://www.molaid.com/MS_164855 target="_blank">TAte, and local environmeNTAhref=https://www.molaid.com/MS_112097 target="_blank">NTa href=https://www.molaid.com/MS_164855 target="_blank">TAl
reguLAtions.
________________________________________________________________________
14 - TRAnSPort InforMAtion
________________________________________________________________________
RID/ADR
Non-hazardous for road tRAnSPort.
IMDG
Non-hazardous for sea tRAnSPort.
IATA
Non-hazardous for air tRAnSPort.
________________________________________________________________________
15 - ReguLAtory InforMAtion
________________________________________________________________________
COUNTRY SPECIFIC INFORMATION
GerMAny
WGK: 2
Self-CLA href=https://www.molaid.com/MS_77825 target="_blank">LAssification
________________________________________________________________________
16 - Other InforMAtion
________________________________________________________________________
WARRANTY
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 STa href=https://www.molaid.com/MS_164855 target="_blank">TAte of our
knowledge and is applicable to the product with regard to
appropriate safety prECautions. It does not represeNT any
shall not be held liable for any dAMa href=https://www.molaid.com/MS_1038 target="_blank">MAa href=https://www.molaid.com/MS_32333 target="_blank">AGE resulting from handling or
from coNTAhref=https://www.molaid.com/MS_112097 target="_blank">NTa href=https://www.molaid.com/MS_164855 target="_blank">TAct with the aboVE product. See reVErse side of invoice
or packing slip for additional terms and coNDItions of sale.
unlimitedpaper copies for iNTernal use only.
DISCLAIMER
For R&AMp;D use only. Not for drug, household or other uses.

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模块 15 - 法规信息
N/A

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模块16 - 其他信息
N/A

制备方法与用途

合成制备方法

反应信息

• 作为反应物：
  描述：

  吡啶-2-醛肟甲基甲磺酸酯 在 盐酸 作用下， 以 异丙醇 为溶剂， 反应 2.5h， 以92%的产率得到吡啶-2-甲醛肟氯甲烷盐
  参考文献：
  名称：

  Unnisa, Lateef; Sumakanth; Rao, B. Leelamaheswara, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014, vol. 53, # 4, p. 431 - 435

  摘要：

  DOI：
• 作为产物：
  描述：

  2-吡啶甲醛肟 、 甲磺酸甲酯 以 乙腈 为溶剂， 反应 7.0h， 以90%的产率得到吡啶-2-醛肟甲基甲磺酸酯
  参考文献：
  名称：

  Unnisa, Lateef; Sumakanth; Rao, B. Leelamaheswara, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014, vol. 53, # 4, p. 431 - 435

  摘要：

  DOI：

文献信息

• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• [EN] DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF<br/>[FR] LIQUIDES IONIQUES À DOUBLE FONCTION ET SELS DE CEUX-CI
  申请人：UNIV ALABAMA

  公开号：WO2010078300A1

  公开（公告）日：2010-07-08

  Disclosed herein are ionic liquid compositions comprising active pharmaceutical, biological, and nutritional compounds, and methods of use. Further disclosed are compositions of matter including liquid ion pairs alone or in solution and their use; compositions of ionic liquids that are 'solvated,' for example, 'hydrated' and their uses.

  本文揭示了包括活性药物、生物学和营养化合物的离子液体组合物，以及其使用方法。进一步揭示了包括液态离子对的物质组合物，单独或溶解后使用；以及离子液体的“溶剂化”组合物，例如“水合”的组合物及其用途。
• Topiramate Plus Naltrexone for the Treatment of Addictive Disorders
  申请人：Johnson Bankole A.

  公开号：US20100076006A1

  公开（公告）日：2010-03-25

  The present invention provides for the use of combinations of drugs to treat addictive disorders.

  本发明提供了利用药物组合治疗成瘾性障碍的方法。
• USE OF ISOINDOLES FOR THE TREATMENT OF NEUROBEHAVIORAL DISORDERS
  申请人：Kovacs Bruce

  公开号：US20090318520A1

  公开（公告）日：2009-12-24

  The present invention generally relates to the use of drugs for the treatment of neurobehavioral disorders or symptoms of a neurobehavioral disorder associated with dysfunction of the trimonoamine modulating system (TMMS). More specifically, the invention describes methods for the treatment of a neurobehavioral disorder and/or treatment or prevention of symptoms of a neurobehavioral disorder by administering suitable Isoindole derivatives alone or in combination with other agents so as to provide relatively equal inhibitory effect on serotonin, dopamine and norepinephrine transporters.

  本发明一般涉及使用药物治疗与三单胺调节系统（TMMS）功能障碍相关的神经行为障碍或症状。更具体地，该发明描述了通过单独或与其他药物联合给予适当的异吲哚衍生物以在血清素、多巴胺和去甲肾上腺素转运体上提供相对平等的抑制作用，用于治疗神经行为障碍和/或治疗或预防神经行为障碍症状的方法。
• 2-Hydroxyiminomethyl-<i>N</i>-Methylpyridinium Methanesulphonate (P2S), An Antidote to Organophosphorus Poisoning. Its Preparation, Estimation and Stability
  作者：N H Creasey、A L Green

  DOI：10.1111/j.2042-7158.1959.tb12586.x

  日期：2011.4.12

  2-Hydroxyiminomethyl-N-methylpyridinium methanesulphonate (P2S) is prepared by boiling pyridine-2-aldoxime with methyl methanesulphonate in benzene. It can be estimated both in water and in biological materials by measuring its ultra-vìolet absorption in alkaline solution. In aqueous solution it is slowly decomposed by heat or prolonged storage with some cyanide ion formation. The stability varies with pH, being optimal at pH 4–5. P2S can be satisfactorily sterilised by filtration through a “millipore” filter.

  通过在苯中将2-羟基亚甲基-N-甲基吡啶甲醛和甲基甲烷磺酸酯煮沸，制备出2-羟基亚甲基-N-甲基吡啶甲磺酸盐（P2S）。可以通过在碱性溶液中测量其紫外吸收来估计其在水和生物材料中的含量。在水溶液中，它会因热或长时间存储而缓慢分解，并形成一些氰化物离子。其稳定性随pH值的变化而变化，在pH 4-5时最优。 可以通过“millipore”过滤器进行满意的灭菌处理。