4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 | 3945-69-5

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐
• 中文别名: 4-(4,6-二甲氧基三嗪)-4-甲基吗啉盐酸盐；4-(4,6-二甲氧基-1,3,5,-三嗪-2-基)-4-甲基吗啉盐酸；4-(4,6-二甲氧基-2-均三嗪基)-4-甲基吗啉盐酸盐水合物；4-(4,6-二甲氧基-1,3,5-三嗪-2-基)-4-甲基氯化吗啉盐；氯化4-(4,6-二甲氧基-1,3,5-三嗪-2-基)-4-甲基吗啉；4-(4,6-二甲氧基-1,3,5-三嗪-2-基)-4-甲基吗啉盐酸盐；DMTMM
• 英文名称: 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
• 英文别名: DMTMM；4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium chloride；4-(4,6-dimethoxy-1,3,5-triazine-2-yl)-4-methylmorpholinium chloride；4-(4,6-dimethoxy[1.3.5]triazin-2-yl)-4-methylmorpholinium chloride hydrate；4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholium chloride；4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride n-hydrate；4-(4,6-dimethoxyl-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride；(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride；4-(4,6-dimethoxytriazin-2-yl)-4-methylmorpholine hydrochloride；4-(4,6-dimethoxytriazine)-4-methylmorpholine hydrochloride；4-(4,6-dimethoxytriazin-2-yl)-4-methylmorpholinium chloride；DMTMM(Cl)；MMTM；4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium;chloride
• CAS: 3945-69-5
• 化学式: C₁₀H₁₇N₄O₃*Cl
• 分子量: 276.723
• InChiKey: BMTZEAOGFDXDAD-UHFFFAOYSA-M

物化性质

• 熔点：
  110-114 °C
• 闪点：
  92.5 °C
• 溶解度：
  DMSO（少量）、甲醇（少量）、水（少量）
• 稳定性/保质期：
  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  -3.14
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 危险类别码：
  R20/21/22,R34,R40
• 危险品运输编号：
  UN 3261 8/PG 2
• WGK Germany：
  3
• 海关编码：
  2934999090
• 包装等级：
  III
• 危险类别：
  8
• 安全说明：
  S26,S36/37/39,S45
• 危险性防范说明：
  P264,P270,P271,P280,P303+P361+P353,P304+P340,P305+P351+P338,P310,P330,P363,P403+P233,P501
• 危险性描述：
  H314,H302
• 储存条件：
  -20℃下应避光、存放在通风且干燥的地方，并密封保存。

SDS

4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4- Revision number: 5
methylmorpholinium Chloride
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium Chloride

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Acute toxicity (Oral) Category 4
Category 1B
Skin corrosion/irritation
Serious eye damage/eye irritation Category 1
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Harmful if swallowed
Hazard statements
Causes severe skin burns and eye damage
Precautionary statements:
[Prevention] Do not breathe dust/fume/gas/mist/vapours/spray.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing.
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
Wash contaminated clothing before reuse.
Immediately call a POISON CENTER or doctor/physician.
[Storage] Store locked up.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-
methylmorpholinium Chloride

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium Chloride
Percent: >98.0%(T)
CAS Number: 3945-69-5
Synonyms: DMTMM
Chemical Formula: C10H17ClN4O3

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Immediately call a POISON CENTER or doctor/physician.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
Ingestion: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust or aerosol will be
generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a freezer.
Store under inert gas.
Protect from moisture.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-
methylmorpholinium Chloride

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Section 7. HANDLING AND STORAGE
Heat-sensitive, Hygroscopic
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Hand protection: Impervious gloves.
Eye protection: Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Solid
Physical state (20°C):
Form: Crystal- Powder
Colour: White - Very pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: No data available
No data available
Flash point:
Flammability or explosive
limits:
Lower: No data available
No data available
Upper:
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents]
Soluble: Methanol

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents, Bases
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-
methylmorpholinium Chloride

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Section 12. ECOLOGICAL INFORMATION
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: 8: Corrosive.
3261
UN-No:
Proper shipping name: Corrosive solid, acidic, organic, n.o.s.
II
Packing group:

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

在溶液或固相肽合成中用于活化羧酸的试剂，其性能优于或相当于当前最为流行的偶联试剂。此外，它同样适用于溶液中的羧酸活化及固相多肽合成，表现更胜一筹。

反应信息

• 作为反应物：
  描述：

  4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 以 二氯甲烷 为溶剂， 反应 3.0h， 以96%的产率得到4-(4,6-二甲氧基-1,3,5-三嗪-2-基)吗啉
  参考文献：
  名称：

  1,3,5-三嗪化学在脱氢缩合反应中的作用：高斯效应对活性三嗪基铵物种生成的影响

  摘要：

  2-氯-4,6-二甲氧基-1,3,5-三嗪（CDMT）与各种含氮化合物，特别是叔胺（反应叔-胺），已经研究了制备2-（4- ，6-二甲氧基-1,3,5-三嗪基）三烷基铵盐[DMT-Am（s）]。DMT-AMS衍生自脂族叔-胺为羧酸和胺之间的脱水缩合展示的活性，以形成在一个模型反应的酰胺。基于DMT-AMS和的构象分析叔通过NMR和X射线衍射法-胺，我们得出的结论是β-烷基中的保持笨拙与氮的孤对电子的关系叔胺会严重阻碍CDMT接近氮。因此，三甲胺和奎宁环没有这样的烷基基团容易地与反应CDMT而三乙胺，具有两个或三个这种笨拙的稳定构象β -烷基，根本不发生反应。这里提出的“ gaucheβ-烷基效应”理论为制备具有各种叔胺基团的DMT-Ams提供了有用的指导。的脱水缩合活性的调查叔-胺在CDMT /叔-胺在原位产生DMT-Am的都涉及系统，显示，笨拙的β烷基的效果变得相当显着; 酰胺的收率随着

  DOI：

  10.1002/chem.201202236
• 作为产物：
  描述：

  2-氯-4,6-二甲氧基-1,3,5-三嗪 在 N-甲基吗啉 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以97.4%的产率得到4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐
  参考文献：
  名称：

  Method for preserving quaternary ammonium salt

  摘要：

  一种提高季铵盐稳定性的方法和一种高效制备稳定性提高的季铵盐的方法。

  公开号：

  US20030153785A1
• 作为试剂：
  描述：

  5-amino-3,3-dimethylisoindolin-1-one 在 4-二甲氨基吡啶 、 四(三苯基膦)钯 、 camphor-10-sulfonic acid 、 三乙胺 、 cesium fluoride 、 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 生成 (S)-5-((4-(2-hydroxy-1-phenylethyl)amino-5-(3-methylisoxazol-5-yl)pyrimidin-2-yl)amino)-3,3-dimethylisoindol-1-one
  参考文献：
  名称：

  可用作HPK1抑制剂的化合物

  摘要：

  本发明提供了一类针对HPK1的抑制剂。本发明涉及所述化合物的结构和化学合成方法，及其用于制备HPK1小分子抑制剂以用于治疗突变所引起的多种疾病的用途。

  公开号：

  CN118084892A

文献信息

• [EN] DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK<br/>[FR] COMPOSÉS DE DIHYDROPYRROLONAPHTYRIDINONE COMME INHIBITEURS DE JAK
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010144486A1

  公开（公告）日：2010-12-16

  Disclosed are JAK inhibitors of formula (I) where G1, R1, R2, R3, R4, R5, R6, and R7 are defined in the specification. Also disclosed are pharmaceutical compositions, kits and articles of manufacture which contain the compounds, methods and materials for making the compounds, and methods of using the compounds to treat diseases, disorders, and conditions involving the immune system and inflammation, including rheumatoid arthritis, hematological malignancies, epithelial cancers (i.e., carcinomas), and other diseases, disorders or conditions associated with JAK.

  揭示了式(I)的JAK抑制剂，其中G1、R1、R2、R3、R4、R5、R6和R7在规范中定义。还披露了含有这些化合物的药物组合物、试剂盒和制造物品，制备这些化合物的方法和材料，以及使用这些化合物治疗涉及免疫系统和炎症的疾病、紊乱和症状的方法，包括类风湿关节炎、血液恶性肿瘤、上皮癌（即癌症）和其他与JAK相关的疾病、紊乱或症状。
• [EN] DERIVATIVES OF AMANITA TOXINS AND THEIR CONJUGATION TO A CELL BINDING MOLECULE<br/>[FR] DÉRIVÉS DE TOXINES D'AMANITES ET LEUR CONJUGAISON À UNE MOLÉCULE DE LIAISON CELLULAIRE
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2017046658A1

  公开（公告）日：2017-03-23

  Derivatives of Amernita toxins of Formula (I), wherein, formula (a) R 1, R 2, R 3, R 4, R 5, R 6, R 7, R 8, R 9, R 10, X, L, m, n and Q are defined herein. The preparation of the derivatives. The therapeutic use of the derivatives in the targeted treatment of cancers, autoimmune disorders, and infectious diseases.

  Amernita毒素的衍生物的化学式（I），其中，化学式（a）中的R 1、R 2、R 3、R 4、R 5、R 6、R 7、R 8、R 9、R 10、X、L、m、n和Q在此处被定义。这些衍生物的制备。这些衍生物在靶向治疗癌症、自身免疫性疾病和传染病中的治疗用途。
• DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：US20160002251A1

  公开（公告）日：2016-01-07

  The present invention provides a dihydropyridazine-3,5-dione derivative or a salt thereof, or a solvate of the compound or the salt, a pharmaceutical drug, a pharmaceutical composition, a sodium-dependent phosphate transporter inhibitor, and a preventive and/or therapeutic agent for hyperphosphatemia, secondary hyperparathyroidism, chronic renal failure, chronic kidney disease, and arteriosclerosis associated with vascular calcification comprising the compound as an active ingredient, and a method for prevention and/or treatment.

  本发明提供了一种二氢吡啶嗪-3,5-二酮衍生物或其盐，或化合物或盐的溶剂化合物，一种药物，一种药物组合物，一种钠依赖性磷酸盐转运体抑制剂，以及作为活性成分的化合物的高磷血症、继发性甲状旁腺功能亢进症、慢性肾功能衰竭、慢性肾病和与血管钙化相关的动脉硬化的预防和/或治疗剂，以及预防和/或治疗的方法。
• [EN] PROCESS FOR THE PREPARATION OF TENELIGLIPTIN AND ITS NOVEL INTERMEDIATES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE TENELIGLIPIN ET NOUVEAUX INTERMÉDIAIRES CORRESPONDANTS
  申请人：MICRO LABS LTD

  公开号：WO2015173779A1

  公开（公告）日：2015-11-19

  The present invention relates to a novel process for the preparation of Teneligliptin or its pharmaceutically acceptable salts and its hydrates thereof. The invention also relates to novel intermediates used in the synthesis of Teneligliptin and their preparation.

  本发明涉及一种用于制备替格列汀或其药用可接受盐及其水合物的新型方法。该发明还涉及用于合成替格列汀的新型中间体及其制备方法。
• [EN] A PROCESS FOR THE PREPARATION OF LACOSAMIDE<br/>[FR] PROCEDE DE PREPARATION DE LACOSAMIDE
  申请人：NATCO PHARMA LTD

  公开号：WO2011095995A1

  公开（公告）日：2011-08-11

  Present invention relates to an improved and commercial process for the preparation of lacosamide ((R)-2-acetamido-N-benzyl-3-methoxypropanamide) of formula (I). Present process utilizes high purity crystalline solids of formulae (XXXII) and (XIII) as key intermediates. Lacosamide is indicated for the adjunctive treatment of partial onset seizures in patients aged at least 17 years.

  本发明涉及一种改进的商业化过程，用于制备拉考酰胺（(R)-2-乙酰氨基-N-苄基-3-甲氧基丙酰胺）的化学式(I)。目前的工艺利用化学式(XXXII)和(XIII)的高纯度晶体固体作为关键中间体。拉考酰胺适用于至少17岁的患者的部分发作性癫痫的辅助治疗。