1,2,3,6-四氢吡嗪-1,2-二羧酸二乙酯 | 35691-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 1,2,3,6-四氢吡嗪-1,2-二羧酸二乙酯
• 中文别名: 1,2,3,6-四氢哒嗪-1,2-二羧酸二乙酯
• 英文名称: diethyl 3,6-dihydro-1,2-pyridazinedicarboxylate
• 英文别名: diethyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate；1,2-bis(ethoxycarbonyl)-1,2,3,6-tetrahydropyridazine；1,2-diethoxycarbonyl-1,2,3,6-tetrahydropyridazine；1,2-dicarbethoxy-1,2,3,6-tetrahydropyridazine；1,2-dicarbethoxy-4-1,2,3,6-piperidazine；1,2-dicarboethoxy-1,2,3,6-tetrahydropyridazine；Diethyl 3,6-dihydropyridazine-1,2-dicarboxylate
• CAS: 35691-30-6
• 化学式: C₁₀H₁₆N₂O₄
• mdl: MFCD00173939
• 分子量: 228.248
• InChiKey: QJTXVDDNYXLLDA-UHFFFAOYSA-N

物化性质

• 沸点：
  111 °C
• 密度：
  1.1482 g/cm3(Temp: 19.5 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• 安全说明：
  S26,S37/39

SDS

Name:	Diethyl 1 2 3 6-tetrahydropyridazine-1 2-dicarboxylate 97% Material Safety Data Sheet
Synonym:
CAS:	35691-30-6

Section 1 - Chemical Product MSDS Name:Diethyl 1 2 3 6-tetrahydropyridazine-1 2-dicarboxylate 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
35691-30-6	Diethyl 1,2,3,6-tetrahydropyridazine-1	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 35691-30-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H16N2O4
Molecular Weight: 228

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Reducing agents, strong oxidizing agents, halogenated agents, halogens.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 35691-30-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Diethyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 35691-30-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35691-30-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35691-30-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,2,3,6-四氢吡嗪-1,2-二羧酸二乙酯 在 四氯化碳 、 氢氧化钾 、 乙醇 、 溴 、 铂 作用下， 生成 ethyl hexahydropyridazine-1-carboxylate
  参考文献：
  名称：

  合成具有2个氮原子作为桥键的双环化合物

  摘要：

  DOI：

  10.1002/ardp.19592920503
• 作为产物：
  描述：

  diethyl azodicarboxylate 生成 1,2,3,6-四氢吡嗪-1,2-二羧酸二乙酯
  参考文献：
  名称：

  β-Eliminierung an quartären hydraziniumsalzen, eine neue methode zur darstellung unsymmetrisch alkylierter diamine

  摘要：

  DOI：

  10.1016/s0040-4039(01)91401-7

文献信息

• Cyclic sulfonamide herbicides
  申请人：E. I. du Pont de Nemours and Company

  公开号：US05750471A1

  公开（公告）日：1998-05-12

  This invention relates to certain cyclic sulfonamides, their agriculturally-suitable salts and compositions, and methods of their use as general or selective preemergent or postemergent herbicides.

  这项发明涉及某些环状磺酰胺、其适合农业用途的盐和配方，以及它们作为一般或选择性萌发前或萌发后除草剂的使用方法。
• Synthesis of<i>p</i>-aminobenzamides of aminopiperidazines as potential antiarrhythmic agents
  作者：M. J. Kornet、K. Abdul-Nabi Ali、Mitchell I. Steinberg

  DOI：10.1002/jhet.5570310445

  日期：1994.7

  mide (25) was also synthesized. Compounds 8,13 and 25 which are analogs of procainamide were evaluated in the isolated cardiac Purkinje fiber preparation by measuring their effects on the action potential upstroke velocity.

  1,2-二甲基-4-氨基哌嗪（4），1-（2-氨基乙基）2-甲基哌嗪（11），2-（2-氨基乙基）-3-甲基-2,3-二氮杂双环[2.2.1已经合成了庚烷（16）和1,2-二甲基-3-氨基甲基哌啶嗪（21）。胺4,11，和16分别转化为相应的p -nitrobenzamides 7,12，和17.后者硝基衍生物的催化还原，得到相应的p -aminobenzamides 8,13，和18.对于对比研究中，无环类似物， 4-氨基-N还合成了[2-（1,1,2-三甲基肼基）乙基]苯甲酰胺（25）。通过测量分离的心脏浦肯野纤维制剂中的普鲁卡因酰胺类似物化合物8,13和25，通过测量它们对动作电位上冲速度的作用来评估。
• [EN] FUNGICIDAL HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES FONGICIDES
  申请人：DU PONT

  公开号：WO2011085170A1

  公开（公告）日：2011-07-14

  Disclosed are compounds of Formula 1 and Formula 1A including all stereoisomers, N oxides, and salts thereof, (formula 1 and 1A) wherein E, Y1, Y2, Y3, G, J, X1 and X2 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 or Formula 1A and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  揭示了公式1和公式1A的化合物，包括所有立体异构体、N-氧化物和盐，（公式1和1A）其中E、Y1、Y2、Y3、G、J、X1和X2如披露中所定义。还披露了含有公式1或公式1A化合物的组合物，以及用于控制由真菌病原体引起的植物疾病的方法，包括施用发明的化合物或组合物的有效量。
• Synthesis of 4-piperidazinethiols as potential antiradiation agents
  作者：Milton J. Kornet、Ralph Daniels

  DOI：10.1002/jhet.5570170721

  日期：1980.11

  The free radical addition of thioacetic acid to 1,2-dicarbethoxy-1,2,3,6-tetrahydropyridazines gave high yields of 1,2-dicarbethoxy-4-S-thiolacetoxypiperidazines. The latter compounds served as the key intermediates in the preparation of 4-piperidazinethiols. The thiolacetoxy derivatives were partially hydrolyzed to afford the related 1,2-dicarbethoxy-4-piperidazinethiols. Complete hydrolysis of the

  将硫代乙酸自由基加成到1,2-二碳乙氧基-1,2,3,6-四氢哒嗪中可以得到高产率的1,2-二碳乙氧基-4- S-硫代乙酰氧基哌嗪。后者化合物是制备4-哌啶嗪硫醇的关键中间体。巯基乙酰氧基衍生物被部分水解，得到相关的1，2-二碳乙氧基-4-哌啶嗪硫醇。硫羟乙酸酯的完全水解产生4-哌啶嗪硫醇。最后，氢化铝锂将硫醇乙酰氧基酯还原，产生了一系列的1,2-二甲基-4-哌嗪嗪硫醇。仅4-哌啶嗪硫醇盐酸盐显示出明显的抗辐射活性。
• Phenylurethans of pyrazolidinols and piperidazinols as anticonvulsants
  作者：Milton J. Kornet

  DOI：10.1002/jhet.5570270750

  日期：1990.11

  was prepared in three steps from 1,2-diethoxycarbonyl-1,2,3,6-tetrahydropyridazine (IV). The two alcohols were added to several aryl isocyanates and afforded fourteen new phenylurethan derivatives which showed moderate anticonvulsant activity in mice.

  1,2-二乙基-4- hydroxymethylpyrazolidine的（合成II）在两个步骤中从1,2-二乙基-4- ethoxycarbonylpyrazolidine（完成我）。另外，1,2-二甲基-4- hydroxypiperidazine（VI）在三个步骤中，制备从1,2-二乙氧基羰基-1,2,3,6-四氢哒（IV）。将这两种醇加到几种异氰酸芳基酯中，得到十四种新的苯基脲酮衍生物，它们在小鼠中表现出适度的抗惊厥活性。