3,5-二甲基苯肼盐酸盐 | 60481-36-9

• 物质功能分类: 化学试剂 - 有机试剂 - 肼
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,5-二甲基苯肼盐酸盐
• 中文别名: 3,5-二甲基苯肼HC
• 英文名称: 3,5-dimethylphenylhydrazine hydrochloride
• 英文别名: (3,5-dimethylphenyl)hydrazine;hydrochloride
• CAS: 60481-36-9
• 化学式: C₈H₁₂N₂*ClH
• mdl: MFCD00052269
• 分子量: 172.658
• InChiKey: RSBQANBNDXZFIY-UHFFFAOYSA-N

物化性质

• 熔点：
  180°C (dec.)
• 稳定性/保质期：
  避免接触氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2928000090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  在密封的贮藏器中，应将其置于阴凉、干燥处通风保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,5-Dimethylphenylhydrazine, HCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 3,5-Dimethylphenylhydrazine, HCl
CAS number: 60481-36-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H12N2.ClH
Molecular weight: 172.7

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

该物质应用于医药中间体。

用途简介

（此处内容为空，可添加具体信息）

反应信息

• 作为反应物：
  描述：

  3,5-二甲基苯肼盐酸盐 在 对甲苯磺酸 作用下， 以 乙醇 、 xylene 为溶剂， 生成 1-(3,5-Dimethylphenyl)-3-methylchromeno[4,3-c]pyrazol-4-one
  参考文献：
  名称：

  中心苯并二氮杂receptor受体配体1-芳基和2-芳基[1]苯并吡喃并唑-4-酮的合成，结合研究及构效关系。

  摘要：

  DOI：

  10.1021/jm00396a001
• 作为产物：
  描述：

  3,5-二甲基溴苯 在 potassium phosphate 、 copper(l) iodide 、 N,N'-二(2,6-二甲基苯基)草酰胺 、 十六烷基三甲基溴化铵 、 一水合肼 、 盐酸 作用下， 以 水 为溶剂， 反应 0.25h， 以75%的产率得到3,5-二甲基苯肼盐酸盐
  参考文献：
  名称：

  CuI / BMPO催化卤代芳烃与水合肼的交叉偶联合成芳族肼

  摘要：

  的N，N-双（2,6-二甲基苯基）草酰胺，发现作为一个强大的配体对Cu催化的与水合肼芳基卤化物的交叉耦合，从而导致的各种芳基肼的形成在80 ö用C在K 3 PO 4和4 mol％的十六烷基三甲基溴化铵的帮助下，从芳基溴化物和芳基碘化物中加入水。在大多数情况下，观察到良好至极好的产量。

  DOI：

  10.1002/cjoc.201800326

文献信息

• Tetracyclic indolines as a novel class of β-lactam-selective resistance-modifying agent for MRSA
  作者：Yugen Zhu、Lakota Cleaver、Wei Wang、Jessica D. Podoll、Shane Walls、Austin Jolly、Xiang Wang

  DOI：10.1016/j.ejmech.2016.09.034

  日期：2017.1

  marked increase in recent years, while antibiotic discovery has waned. Resistance-modifying agents (RMA) offer an intriguing alternative strategy to fight against resistant bacteria. Here we report the discovery, antibiotic profiling, and structure-activity relationships of a novel class of RMAs, tetracyclic indolines. These selectively potentiate β-lactam antibiotics in methicillin-resistant Staphylococcus

  近年来，对抗生素具有抗药性的细菌感染显着增加，而对抗生素的发现却有所减少。抗性改良剂（RMA）提供了一种有趣的替代策略来对抗抗性细菌。在这里，我们报告的发现，一类新型的RMA，四环吲哚啉的抗生素分析和结构活性关系。这些选择性增强了耐甲氧西林的金黄色葡萄球菌（MRSA）中的β-内酰胺抗生素，而没有抗菌或β-内酰胺酶抑制活性。最有效的类似物6a，显示出阿莫西林/克拉维酸在各种医院获得的和社区获得的具有低哺乳动物毒性的MRSA菌株中具有强大的增效作用。可以进一步开发这些化合物，以延长β-内酰胺类抗生素的临床寿命。
• Catalytic Asymmetric Addition of Diorganozinc Reagents to Pyrazole‐4,5‐Diones and Indoline‐2,3‐Diones
  作者：Rong‐Hui Wang、Ya‐Ling Li、Hong‐Jiao He、You‐Cai Xiao、Fen‐Er Chen

  DOI：10.1002/chem.202005081

  日期：2021.3

  The catalytic enantioselective diorganozinc additions to cyclic diketones including pyrazolin‐4,5‐diones and isatins have been developed. In the presence of morpholine‐containing chiral amino alcohol ligand, the corresponding chiral cyclic tertiary alcohols were produced in good to excellent yields (up to 97 %) and enantioselectivities (up to 95 % ee). The notable feature of this protocol includes

  已经开发了对环二酮（包括吡唑啉-4,5-二酮和靛红）的催化对映选择性二有机锌。在含有吗啉的手性氨基醇配体存在的情况下，相应的手性环状叔醇以良好至极佳的收率（高达97％）和对映选择性（高达95％ee）生产。该方案的显着特征包括温和的反应条件，无路易斯酸添加剂和宽泛的官能团耐受性。
• Asymmetric Catalysis on the Nanoscale: The Organocatalytic Approach to Helicenes
  作者：Lisa Kötzner、Matthew J. Webber、Alberto Martínez、Claudia De Fusco、Benjamin List

  DOI：10.1002/anie.201400474

  日期：2014.5.12

  The first asymmetric organocatalytic synthesis of helicenes is reported. A novel SPINOL‐derived phosphoric acid, bearing extended π‐substituents, catalyzes the asymmetric synthesis of helicenes through an enantioselective Fischer indole reaction. A variety of azahelicenes and diazahelicenes could be obtained with good to excellent yields and enantioselectivities.

  报道了螺旋烯的首次不对称有机催化合成。一种新颖的SPINOL衍生的磷酸，带有扩展的π取代基，通过对映选择性Fischer吲哚反应催化螺旋烯的不对称合成。可以以良好或优异的产率和对映选择性获得各种氮杂庚烯酮和二氮杂戊烯酮。
• A Regioselective Approach to Trisubstituted Pyrazoles via Palladium-Catalyzed Oxidative Sonogashira-Carbonylation of Arylhydrazines
  作者：Yongliang Tu、Zhenming Zhang、Tao Wang、Jiamei Ke、Junfeng Zhao

  DOI：10.1021/acs.orglett.7b01447

  日期：2017.7.7

  A palladium-catalyzed oxidative carbonylation of arylhydrazines and alkynes with balloon pressure CO/O2 to afford trisubstituted pyrazoles in a one-pot manner has been developed. The formation of trisubstituted pyrazoles involves a sequential C–N bond cleavage, carbonylation, Sonogashira coupling, Michael addition, and intramolecular condensation cyclization tandem process. An unprecedented oxidative

  已经开发了用球罐压力CO / O 2进行钯催化的芳基肼和炔烃的氧化羰基化反应，以一锅法得到三取代的吡唑。三取代吡唑的形成涉及连续的C–N键断裂，羰基化，Sonogashira偶联，迈克尔加成和分子内缩合环化串联过程。芳基肼的空前的氧化Sonogashira-羰基化反应在如此简便的吡唑方法中起着关键作用。
• Identification of Inhibitors of Cholesterol Transport Proteins Through the Synthesis of a Diverse, Sterol‐Inspired Compound Collection
  作者：Thomas Whitmarsh‐Everiss、Asger Hegelund Olsen、Luca Laraia

  DOI：10.1002/anie.202111639

  日期：2021.12.13

  A general strategy for the identification of selective cholesterol transport protein inhibitors through the synthesis of a diverse sterol-inspired compound collection is presented. Fusion of a primary sterol scaffold to diverse secondary natural product-derived scaffolds afforded hits against all of the Aster family of cholesterol transport proteins and selective inhibitors of Aster-C.

  介绍了通过合成多种甾醇化合物集合来鉴定选择性胆固醇转运蛋白抑制剂的一般策略。初级甾醇支架与多种次级天然产物衍生支架的融合提供了针对胆固醇转运蛋白的所有 Aster 家族和 Aster-C 的选择性抑制剂的攻击。