2-(溴甲基)-2-(2,4-二氯苯基)-1,3-二氧戊环 | 60207-30-9

• 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: 2-(溴甲基)-2-(2,4-二氯苯基)-1,3-二氧戊环
• 英文名称: 2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolane
• 英文别名: 2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane
• CAS: 60207-30-9
• 化学式: C₁₀H₉BrCl₂O₂
• 分子量: 311.99
• InChiKey: KSCVSVDHVXNGCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

SDS

Name:	2-(Bromomethyl)-2-(2 4-Dichlorophenyl)- 1 3-Dioxolane 98% Material Safety Data Sheet
Synonym:	None known
CAS:	60207-30-9

Section 1 - Chemical Product MSDS Name:2-(Bromomethyl)-2-(2 4-Dichlorophenyl)- 1 3-Dioxolane 98% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
60207-30-9	2-(Bromomethyl)-2-(2,4-Dichlorophenyl)	98	262-101-8

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 60207-30-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: light beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 76.00 - 78.00 deg C
Autoignition Temperature: 350 deg C ( 662.00 deg F)
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 10 mg/l (20 c)
Specific Gravity/Density:
Molecular Formula: C10H9BrCl2O2
Molecular Weight: 311.98

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 60207-30-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Bromomethyl)-2-(2,4-Dichlorophenyl)-1,3-Dioxolane - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 60207-30-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 60207-30-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 60207-30-9 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：

  2-(溴甲基)-2-(2,4-二氯苯基)-1,3-二氧戊环 在 硫酸 、 sodium 作用下， 以 甲醇 、 异丙醚 为溶剂， 反应 3.5h， 生成 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole sulfate
  参考文献：
  名称：

  一种以4-氨基-4H-1,2,4-三唑烷基化合成戊环唑方法

  摘要：

  本发明公开了一种以4‑氨基‑4H‑1,2,4‑三唑烷基化合成戊环唑方法，包括步骤一，原料的制备；步骤二，1‑(2,4‑二氯苯基)‑2‑(1H‑1,2,4‑三唑‑1‑基)乙酮的合成；步骤三，戊环唑的合成。本发明的优点是：戊环唑新型杀菌剂的研制成功填补了国内空白，以此为基础的类似衍生物的合成研究必将方兴未艾，各种新型杀菌剂的研制成功和工业化的实施，本发明为一种新型的戊环唑合成方法。

  公开号：

  CN108675995A
• 作为产物：
  描述：

  2,4-二氯苯乙酮 在 aluminum (III) chloride 、 溴 、 对甲苯磺酸 作用下， 以 乙醚 、 正丁醇 、 苯 为溶剂， 反应 6.0h， 生成 2-(溴甲基)-2-(2,4-二氯苯基)-1,3-二氧戊环
  参考文献：
  名称：

  一种以4-氨基-4H-1,2,4-三唑烷基化合成戊环唑方法

  摘要：

  本发明公开了一种以4‑氨基‑4H‑1,2,4‑三唑烷基化合成戊环唑方法，包括步骤一，原料的制备；步骤二，1‑(2,4‑二氯苯基)‑2‑(1H‑1,2,4‑三唑‑1‑基)乙酮的合成；步骤三，戊环唑的合成。本发明的优点是：戊环唑新型杀菌剂的研制成功填补了国内空白，以此为基础的类似衍生物的合成研究必将方兴未艾，各种新型杀菌剂的研制成功和工业化的实施，本发明为一种新型的戊环唑合成方法。

  公开号：

  CN108675995A

文献信息

• Antimicrobial and plant-growth-regulating triazole derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04160838A1

  公开（公告）日：1979-07-10

  Novel 1-(.beta.-aryl)ethyl-1H-1,2,4-triazole ketals useful for their antimicrobial and plant-growth regulating activities.

  新型1-(β-芳基)乙基-1H-1,2,4-三唑缩醛，用于其抗微生物和调节植物生长活性。
• Triazole derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04079062A1

  公开（公告）日：1978-03-14

  Novel 1-(.beta.-aryl)ethyl-1H-1,2,4-triazole ketals useful for their antimicrobial and plant-growth regulating activities.

  新型1-(β-芳基)乙基-1H-1,2,4-三唑缩醛，用于其抗微生物和调节植物生长活性。
• One-step for the preparation of α-haloacetal of ketones with N-bromosuccinimide/N-chlorosuccinimide (NBS/NCS) and ethylene glycol
  作者：Zubiao Zheng、Bingbing Han、Fang Wu、Tengfei Shi、Jie Liu、Yong Zhang、Jialong Hao

  DOI：10.1016/j.tet.2016.05.064

  日期：2016.12

  A new process that could directly prepare α-haloacetal of ketones from various ketones with N-halosuccinimide (NBS/NCS) and ethylene glycol in one step without any other catalysts was reported. The effects of solvents, NBS/NCS and reaction temperature were investigated. Under the optimal condition, most of α-haloacetals of ketones were obtained in 90–100% yield.

  报道了一种新方法，该方法可以在不使用任何其他催化剂的情况下，一步一步由N-卤代琥珀酰亚胺（NBS / NCS）和乙二醇直接从各种酮制备酮的α-卤代缩醛。研究了溶剂，NBS / NCS和反应温度的影响。在最佳条件下，大多数α-卤代乙缩醛酮的收率为90-100％。
• Heme Oxygenase Inhibition by 1-Aryl-2-(1H-imidazol-1-yl/1H-1,2,4-triazol-1-yl)ethanones and Their Derivatives
  作者：Gheorghe Roman、Jason Z. Vlahakis、Dragic Vukomanovic、Kanji Nakatsu、Walter A. Szarek

  DOI：10.1002/cmdc.201000120

  日期：2010.9.3

  been concerned with the design of selective inhibitors of heme oxygenases (HO‐1 and HO‐2). The majority of these were based on a four‐carbon linkage of an azole, usually an imidazole, and an aromatic moiety. In the present study, we designed and synthesized a series of inhibition candidates containing a shorter linkage between these groups, specifically, a series of 1‐aryl‐2‐(1H‐imidazol‐1‐yl/1H‐1

  我们研究小组先前的研究一直与血红素加氧酶选择性抑制剂（HO-1和HO-2）的设计有关。其中大多数是基于吡咯（通常是咪唑）和芳族部分的四碳键合。在本研究中，我们设计和合成了一系列抑制候选物，这些抑制物在这些基团之间具有较短的连接，特别是一系列的1-芳基-2-（1 H-咪唑-1-基/ 1 H-1,2,4-三唑-1-基）乙酮及其衍生物。关于HO-1抑制，发现产生最佳结果的芳族部分是卤素取代的残基，例如3-溴苯基，4-溴苯基和3,4-二氯苯基，或烃基残基，例如2-萘基，4-联苯基。 ，4-苄基苯基和4-（2-苯乙基）苯基。在咪唑酮中，发现有五个（36 – 39和44）对两种同功酶非常有效（IC 50 < 5μM）。相对于咪唑酮类，该系列相应的三唑酮的显示四种化合物（54，55，61，和62）的选择性指数> 50，而对HO-1有利。对于唑二氧戊环，发现其中两个（分别为80和85）分别具有2-萘基部分
• 2-Aryl-2-halomethyl-4-alkenyl-1,3-dioxolanes
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04139540A1

  公开（公告）日：1979-02-13

  Novel compounds denoted as 2-aryl-2-halomethyl-4-alkenyl-1,3-dioxolanes used as intermediates in making 1-(2-Ar-4-R-1,3-dioxolan-2-ylmethyl)imidazoles, useful as antifungal and antibacterial agents.

  2-芳基-2-卤甲基-4-烯基-1,3-二氧戊环类化合物，用作制备1-(2-芳基-4-R-1,3-二氧戊环-2-基甲基)咪唑的中间体，这些咪唑化合物具有抗真菌和抗菌活性。