2,3-双(羟基氨基)-2,3-二甲基丁烷硫酸盐 | 14538-51-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 中文名称: 2,3-双(羟基氨基)-2,3-二甲基丁烷硫酸盐
• 中文别名: 2,3-丁二酮二肟磺酸盐
• 英文名称: 2,3-bis(hydroxyamino)-2,3-dimethylbutane monosulfate
• 英文别名: 2,3-bis(hydroxyamino)-2,3-dimethylbutane sulfate；2,3-bis(hydroxylamino)-2,3-dimethylbutane hydrogen sulfate；2,3-bis(hydroxylamino)-2,3-dimethylbutane monosulfate；N,N'-dihydroxy-2,3-diamino-2,3-dimethylbutane monosulfate；N,N'-dihydroxy-2,3-diammonium-2,3-dimethyl-butane sulfate；2,3-bis(hydroxylamino)-2,3-dimethylbutane sulfate；2,3-dimethyl-2,3-dihydroxyamino-butane sulphate；2,3-Bis(hydroxy-ammonio)-2,3-dimethylbutane sulfate；hydroxy-[3-(hydroxyazaniumyl)-2,3-dimethylbutan-2-yl]azanium;sulfate
• CAS: 14538-51-3
• 化学式: C₆H₁₈N₂O₂*O₄S
• 分子量: 246.285
• InChiKey: IUVKJBVHRBBGOL-UHFFFAOYSA-N

物化性质

• 熔点：
  172-174 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.15
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  148
• 氢给体数：
  6
• 氢受体数：
  8

SDS

Name:	2 3-bis(hydroxyamino)-2 3-dimethylbutane sulfate (pract) 85% Material Safety Data Sheet
Synonym:	N,N'-Dihydroxy-2,3-dimethyl-2,3-butanediamine sulfat
CAS:	14538-51-3

Section 1 - Chemical Product MSDS Name:2 3-bis(hydroxyamino)-2 3-dimethylbutane sulfate (pract) 85% Material Safety Data Sheet
Synonym:N,N'-Dihydroxy-2,3-dimethyl-2,3-butanediamine sulfat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
14538-51-3	2,3-Bis(hydroxyamino)-2,3-dimethylbuta	ca. 85.0	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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:
Antidote: None reported.

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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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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:
Keep container closed when not in use. 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# 14538-51-3: 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: Not available.
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 172.00 - 174.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C6H16N2O2.H2SO4
Molecular Weight: 246.29

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 14538-51-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Bis(hydroxyamino)-2,3-dimethylbutane sulfate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 14538-51-3: No information available.
Canada
CAS# 14538-51-3 is listed on Canada's NDSL List.
CAS# 14538-51-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14538-51-3 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,3-双(羟基氨基)-2,3-二甲基丁烷硫酸盐 在 sodium periodate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 氯仿 、 水 为溶剂， 反应 4.0h， 生成 (E)-2-(but-1-en-3-yn-1-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide 1-oxyl
  参考文献：
  名称：

  基于 SNH 方法合成硝酰基和亚氨基氮氧化物的新方法

  摘要：

  结果表明，SN H 方法为多功能硝酰基和亚氨基硝基氧的合成开辟了新的可能性。发现4,4,5,5-四甲基-4,5-二氢-1Himidazol-3-oxide-1-oxyl锂盐Li1与3,6-diaryl-1,2,4-triazines的相互作用导致形成相应的三嗪，在杂环的 5 位带有硝酰基氮氧化物或亚氨基氮氧化物取代基。Li1 与哒嗪-N-氧化物反应生成带有丁烯3-炔基取代基 5 的氮氧化合物。自旋标记的 5 可以通过使用 1,3-偶极和亲核加成反应以及氧化偶联容易地转化，即给出了一大群新的顺磁铁：2-(1H-pyrazol-5-yl)vinyl-, 2-ethynylcyclopropyl-, 2-(3-(ethoxycarbonyl)isoxazol5-yl)vinyl-, 1-(pyrrolidin-1-yl)but-3-ynyl-取代的硝基硝基氧和一个双自由基 – 2,2'((1E,7E)-octa-1

  DOI：

  10.3998/ark.5550190.0012.806
• 作为产物：
  描述：

  2,3-二甲基-2,3-二硝基丁烷 在 水 、 氯化铵 、 锌 、 硫酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 12.5h， 以52.9%的产率得到2,3-双(羟基氨基)-2,3-二甲基丁烷硫酸盐
  参考文献：
  名称：

  一种α-生育酚自旋标记衍生物及其制备方法

  摘要：

  本发明公开了一种α‑生育酚自旋标记衍生物，该衍生物的结构式为：。本发明还公开该衍生物的制备方法，在抗氧化活性天然产物分子中引入具有特殊结构的吡咯啉氮氧自由基，衍生物合成条件温和、易于纯化且收率高。

  公开号：

  CN105884751A
• 作为试剂：
  描述：

  N,N’-二羟基-2,3-二甲基-2,3-丁二胺 、 对二甲氨基苯甲醛 在 2,3-双(羟基氨基)-2,3-二甲基丁烷硫酸盐 作用下， 以 乙醇 为溶剂， 以94%的产率得到1,3-dihydroxy-2-(4'-N,N-dimethylaminophenyl)-4,4,5,5-tetramethylimidazolidine
  参考文献：
  名称：

  源自胺基自旋极化供体的高自旋阳离子双自由基的设计、制备和电子结构

  摘要：

  合成了基于胺的供体自由基，如二甲氨基、二乙氨基和吗啉硝基氮氧化物，并通过循环伏安法检查了它们的供体能力。单氧化供体自由基的 ESR 光谱显示来自这些供体自由基的阳离子自由基的基态三线态信号。结果是通过产生的 π-自旋和自由基单元上的局部未配对电子之间存在铁磁耦合来解释的。根据分子轨道计算，这两个自旋之间的铁磁耦合源于位于自由基单元上的 SOMO 和由单电子氧化时供体自由基的 HOMO 衍生的 SOMO' 之间的空间共享性质。所以，这些供体自由基的阳离子自由基可以被认为是三亚甲基甲烷的杂类似物。为了扩展供体单元的π-电子结构，合成了对和间二甲氨基苯基硝酰基氮氧化合物，并...

  DOI：

  10.1021/ja994547t

文献信息

• Synthesis of new, BODIPY-based sensors and labels
  作者：Tamás Kálai、Kálmán Hideg

  DOI：10.1016/j.tet.2006.08.079

  日期：2006.10

  New, 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) dye based thiol-reactive fluorescent label, fluorescent amino acid, and fluoroionophore compounds with 540–560 nm emission are described. Combination of a BODIPY dye with a nitronyl nitroxide or an imino nitroxide or a bifunctional pyrroline nitroxide furnished a nitric oxide, a redox sensitive molecule and a double (spin and fluorescence) label

  新，4,4-二氟-4-硼-3a，4a-二氮杂-小号-indacene（BODIPY）染料基硫醇反应性荧光标记物，荧光氨基酸，并用540-560 nm发射描述fluoroionophore化合物。BODIPY染料与亚硝酰基氮氧化物或亚氨基亚硝酸盐或双官能吡咯啉氮氧化物的组合分别提供一氧化氮，氧化还原敏感分子和双（自旋和荧光）标记。
• Synthesis and Magnetic Properties of Stable Radical Derivatives Carrying a Phenylacetylene Unit
  作者：Shogo Miyashiro、Tomoaki Ishii、Youhei Miura、Naoki Yoshioka

  DOI：10.3390/molecules23020371

  日期：——

  A nitronyl nitroxide derivative, 2-phenylethynyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl-3-oxide (1), and two verdazyl derivatives carrying a phenylacetylene unit, 1,5-diphenyl-3-phenylethynyl-6-oxo-1,2,4,5-tetrazin-2-yl (2) and 1,5-diisopropyl-3-phenylethynyl-6-oxo-1,2,4,5-tetrazin-2-yl (3), were synthesized and their packing structures were studied by X-ray crystallographic analysis and

  硝酰基硝基氧化物衍生物，2-苯基乙炔基-4,4,5,5-四甲基-4,5-二氢-1H-咪唑-1-氧基-3-氧化物（1）和两种带有苯基乙炔单元的Verdazyl衍生物1 ，5-二苯基-3-苯基乙炔基-6-氧代1,2,4,5-四嗪-2-基（2）和1,5-二异丙基-3-苯基乙炔基-6-氧代1,2,4，合成了5-四嗪-2-基（3），并通过X射线晶体学分析对其堆积结构进行了研究，并对其磁性进行了固态表征。1和3具有孤立的双峰自旋状态，而2则形成反铁磁耦合对（2J / kB = -118 K）。密度泛函理论（DFT）计算表明，苯基中极化的自旋密度随苯环和自由基平面之间的二面角的增加而降低。
• Aminoxyl radicals bearing a mesogenic core
  作者：Hiroshi Ikemoto、Hiroki Akutsu、Jun-ichi Yamada、Shin'ichi Nakatsuji

  DOI：10.1016/s0040-4039(01)01397-1

  日期：2001.9

  aminoxyl radicals (nitronyl nitroxide or TEMPO) bearing biphenylcarbonitrile as a mesogenic core (2a–2c and 3a–3c) was prepared. Among them, unusual magnetic transition from the original Curie–Weiss phase to another magnetic phase well expressed by a singlet–triplet model was found in the 4′-undecyloxy-4-biphenylcarbonitrile derivative with oxocarbonyl-TEMPO through the thermal transition.

  制备了一系列带有联苯甲腈作为介晶核的氨氧自由基（亚硝基硝基氮或TEMPO）（2a - 2c和3a - 3c）。其中，在具有热羰基的4'-十一烷氧基-4-联苯甲腈衍生物与羰基-TEMPO之间发现了从原始居里-魏斯相到由单重态-三重态模型很好表达的另一种磁性相的异常磁化转变。
• Photolysis and Oxidation of Azidophenyl-Substituted Radicals:  Delocalization in Heteroatom-Based Radicals
  作者：Paul R. Serwinski、Burak Esat、Paul M. Lahti、Yi Liao、Richard Walton、Jiang Lan

  DOI：10.1021/jo049500r

  日期：2004.8.1

  |D/hc| = 0.336 cm-1, |E/hc| = 0.004 cm-1 (11 from 25). UB3LYP/6-31G* computations and ESR spectroscopic analyses suggest that these are nitreno radicals, even para-linked systems with possible quinonoidal resonance forms. Neat samples of azidophenyl radicals 14 and 21 showed bulk paramagnetic behavior, consistent with the lack of close contacts in their crystal structures. Efforts to make photolabile

  2-（4-叠氮苯基）-4,4,5,5-四甲基-4,5-二氢-1 H-咪唑-3-氧化物-1-氧基（14），2-（4-叠氮苯基）苯并咪唑-1 -氧化物-3-氧基（16），2-（4-叠氮基苯基）-1,2,6-三苯基枯基（19），2-（3-叠氮基苯基）-4,4,5,5-四甲基-4,5二氢1H -咪唑-3-氧化物-1-氧基（21），和（3-叠氮基苯基） - ñ -叔丁基- ñ -aminoxyl（25）中的冷冻溶液中光解，得到小号= 3/2状态具有以下零场分裂参数的相应亚硝基苯基自由基的ESR谱：| D / hc | =0.277厘米- 1，| E / hc | ≤0.002厘米- 1（7从14）; | D / hc | = 0.256 cm - 1，| E / hc | | ≤0.002厘米- 1（8从16）; | D / hc | = 0.288 cm - 1，| E / hc | | ≤0.002厘米-
• Design and synthesis of diphenyldiazomethanes possessing stable aminoxyl radicals: photolytic generation of quartet species and their reaction with C60
  作者：Kenji Matsuda、Gilles Ulrich、Hiizu Iwamura

  DOI：10.1039/a801680a

  日期：——

  Diphenyldiazomethanes possessing stable tert-butylaminoxyl and Ullman’s ‘nitronyl nitroxide’§ radicals were prepared. The corresponding diphenylcarbenes substituted with the free radicals were generated by photolysis of the parent diazomethanes. From EPR fine structures and their temperature dependence, the carbene and the radical centers were shown to couple ferromagnetically in these molecules as expected from the topological symmetry of the π-framework. These diazo compounds were reacted with C60 to afford a fulleroid carrying one to four nitronylaminoxyl groups.

  合成了具有稳定的叔丁胺自由基和乌尔曼“亚硝基氮氧化物”自由基的二苯基二氮甲烷。通过母体二氮甲烷的光解生成了相应的取代有自由基的二苯基亚甲基。通过电子自旋共振（EPR）精细结构及其温度依赖性，发现这些分子中的亚甲基和自由基中心如预期那样呈现出铁磁耦合，原因在于其π框架的拓扑对称性。这些二氮化合物与C60反应，生成了携带一至四个亚硝基氨氧基团的全氮烯。