聚合物负载 3,5-二甲基吡唑-1-甲脒盐酸盐 | 40027-64-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 聚合物负载 3,5-二甲基吡唑-1-甲脒盐酸盐
• 中文别名: 3,5-二甲基-1H-吡唑-1-甲脒盐酸盐；聚合物负载3,5-二甲基吡唑-1-甲脒盐酸盐
• 英文名称: 3.5-dimethyl-1H-pyrazole-1-carboxamidine hydrochloride
• 英文别名: 3,5-dimethyl-1H-pyrazole-1-carboximidamide hydrochloride；(3,5-Dimethyl-1H-pyrazol-1-yl)(imino)methanaminium chloride；[amino-(3,5-dimethylpyrazol-1-yl)methylidene]azanium;chloride
• CAS: 40027-64-3
• 化学式: C₆H₁₀N₄*ClH
• 分子量: 174.633
• InChiKey: UOLOESWKXGHYCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.66
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.7
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25,S36/37
• 危险类别码：
  R43
• 海关编码：
  2933199090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 3,5-Dimethylpyrazole-1-carboxamidine
hydrochloride, polymer-supported
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
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.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
No special environmental precautions required.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
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) Auto-ignition 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

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - No data available
In the event of fire: see section 5

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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 sensitisation
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
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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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

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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
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2014 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.

反应信息

• 作为反应物：
  描述：

  聚合物负载 3,5-二甲基吡唑-1-甲脒盐酸盐 在 sodium azide 、 potassium carbonate 、 copper(II) sulfate 、 sodium ascorbate 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 N-(3-chloro-2-methylphenyl)-2-(4-((2-(3,5-dimethyl-1H- pyrazol-1-yl)-5-phenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1- yl)acetamide
  参考文献：
  名称：

  吡唑-咪唑-三唑杂化物的简易合成、抗菌评价和分子对接研究

  摘要：

  摘要 一系列十八唑-咪唑-三唑杂化物(2-(4-((2-(取代-1H-吡唑-1-基)-4-苯基-1H-咪唑-1-基)甲基)-1H- 1,2,3-三唑-1-基)-N-(取代)苯基乙酰胺)(6a-6r)通过原位生成的2-叠氮基-N-取代乙酰胺和N-炔丙基化吡唑之间的点击反应合成咪唑衍生物依次由1-(1H-咪唑-2-基)-1H-吡唑和炔丙基溴区域选择性地获得。合成化合物 (6a-6r) 的结构通过各种光谱研究（1D 和 2D NMR、FT-IR、HRMS）得到证实，并评估了抗菌活性。化合物 6m 对黑曲霉表现出优异的效力（MIC 值为 0.0064 µmol/mL）；甚至优于参考药物氟康唑（MIC 值 0.0112 µmol/mL）。更多，

  DOI：

  10.1016/j.molstruc.2020.129216
• 作为产物：
  描述：

  肼甲酰亚胺酰胺一氯化氢 、 乙酰丙酮 在 乙醇 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以to obtain 1-amidino-3,5-dimethylpyrazole hydrochloride of 210 g的产率得到聚合物负载 3,5-二甲基吡唑-1-甲脒盐酸盐
  参考文献：
  名称：

  Thermal transfer recording material

  摘要：

  公开了一种热转印记录材料，包括由以下式表示的偶氮甲烷染料和含有金属离子的化合物。##STR1##

  公开号：

  US05814580A1

文献信息

• A Three-Component Approach to 3,5-Diaryl-1,2,4-thiadiazoles under Transition-Metal-Free Conditions
  作者：Hao Xie、Jinhui Cai、Zilong Wang、Huawen Huang、Guo-Jun Deng

  DOI：10.1021/acs.orglett.6b00806

  日期：2016.5.6

  A novel route is disclosed for the synthesis of 1,2,4-thiadiazoles starting from amidines, elemental sulfur, and 2-methylquinolines or aldehydes under transition-metal-free conditions. This three-component approach affords efficient and rapid access to 3,5-diaryl substituted 1,2,4-thiadiazoles with good tolerance of a broad range of funcitional groups. Mechanistic studies reveal a radical-involved

  公开了从am，元素硫和2-甲基喹啉或醛开始的无过渡金属条件下合成1,2,4-噻二唑的新途径。这种三组分方法可快速有效地获得3,5-二芳基取代的1,2,4-噻二唑，并且对广泛的官能团具有良好的耐受性。机理研究揭示了一种涉及激进的途径。
• Reactions of triacetylmethane with monosubstituted hydrazines and amidine analogues. Syntheses of 4-acetyl-3,5-dimethylpyrazole amidinohydrazone and 1,3,5-triazine derivatives
  作者：Kaname Takagi、Abdelilah Bajnati、Michel Hubert-Habart

  DOI：10.1002/jhet.5570270608

  日期：1990.9

  Triacetylmethane (1) reacts with amidinohydrazines in acidic medium to afford 4-acetyl-3,5-dimethylpyrazole amidinohydrazone derivatives 2,4. However, a similar reaction of 1 with thiosemicarbazide or semicarbazide led mainly to 3,5-dimethylpyrazole (6). The great propensity of 1 to hydrolysis accounts for this last transformation, as well as for the fact that with guanidine it led to 2-amino-4,6-dimethylpyrimidine

  三乙酰甲烷（1）与a肼在酸性介质中反应，得到4-乙酰基3,5-二甲基吡唑a衍生物2,4。然而，1与硫代氨基脲或氨基脲的相似反应主要导致3,5-二甲基吡唑（6）。1的水解趋势很强，这是最后一个转化的原因，也是由于胍导致了2-氨基-4,6-二甲基嘧啶（10）和S-甲基异硫脲提供了出乎意料的2-氨基-的事实。 4-甲基-6-甲硫基1,3,5-三嗪（11）。
• Hysteretic spin crossover in isomeric iron(<scp>ii</scp>) complexes
  作者：Mark B. Bushuev、Viktor P. Krivopalov、Elena B. Nikolaenkova、Katerina A. Vinogradova、Yuri V. Gatilov

  DOI：10.1039/c8dt02223b

  日期：——

  Two mononuclear iron(II) complexes with isomeric N,N,N-tridentate pyrimidine-based ligands were synthesized. Both complexes show reproducible hysteretic spin crossover. Low spin state to high spin state switching is cooperative due to autocatalysis.

  合成了具有同分异构的N，N，N-三齿嘧啶基配体的两个单核铁（II）配合物。两种配合物均显示出可重现的滞后自旋交叉。低自旋状态到高自旋状态的切换由于自身催化而协同进行。
• 3,5-二甲基-1H-吡唑-1-甲脒盐酸盐的制备方法
  申请人：天津希恩思生化科技有限公司

  公开号：CN105523997A

  公开（公告）日：2016-04-27

  本发明公开了一种3,5-二甲基-1H-吡唑-1-甲脒盐酸盐的制备方法，采用氨基胍碳酸盐、乙酰丙酮等原料合成了具有复杂结构的化合物3,5-二甲基-1H-吡唑-1-甲脒盐酸盐，该产物的产率高，且结晶效果好，纯度高，为后续的化学和生物实验提供高纯度的标样或样品。
• PROCESS FOR PREPARING 1-GUANYLPYRAZOLE ACID ADDUCTS
  申请人：Degussa AG

  公开号：US20020045762A1

  公开（公告）日：2002-04-18

  1-Guanylpyrazole acid adducts of the formula: 1 wherein R 1 , R 2 and R 3 independently of one another are hydrogen, a branched or straight-chain C 1-6 -alkyl group, a C 3-8 -cycloalkyl group or a C 6-12 -aryl group which is unsubstituted or substituted by 1 to 6 alkyl groups; R 4 is hydrogen or a straight-chain or branched C 1-4 -alkyl group; and X is Cl or Br, are prepared by a process which comprises: conducting the reaction of pyrazole or a derivative thereof with cyanamide or a derivative thereof and gaseous hydrogen chloride or hydrogen bromide in an aprotic solvent.

  公式为1的Guanylpyrazole酸加合物的制备方法如下： 其中，R1、R2和R3独立地为氢、支链或直链C1-6烷基、C3-8环烷基或C6-12芳基，该芳基未取代或被1至6个烷基取代； R4为氢或直链或支链C1-4烷基； X为Cl或Br。 该方法包括将吡唑或其衍生物与氰胺或其衍生物以及无水溶剂中的氢氯酸气体或氢溴酸气体反应。