2-(2-萘磺酰基)乙腈 | 32083-60-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-(2-萘磺酰基)乙腈
• 英文名称: 2-(naphthalen-2-ylsulfonyl)acetonitrile
• 英文别名: 2-(naphthalene-2-ylsulfonyl)acetonitrile；2-(2-Naphthylsulfonyl)acetonitrile；2-naphthalen-2-ylsulfonylacetonitrile
• CAS: 32083-60-6
• 化学式: C₁₂H₉NO₂S
• mdl: MFCD00067879
• 分子量: 231.275
• InChiKey: SVBMTLDXBDCGBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  66.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2926909090
• 危险品运输编号：
  UN 3276

SDS

Name:	2-(2-Naphthylsulfonyl)acetonitrile 97% Material Safety Data Sheet
Synonym:
CAS:	32083-60-6

Section 1 - Chemical Product MSDS Name:2-(2-Naphthylsulfonyl)acetonitrile 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
32083-60-6	2-(2-Naphthylsulfonyl)acetonitrile	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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:

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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:
Vacuum or sweep up material and place into a suitable disposal 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 32083-60-6: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 95.5 - 98.5 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:
Specific Gravity/Density:
Molecular Formula: C12H9NO2S
Molecular Weight: 231

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 32083-60-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2-Naphthylsulfonyl)acetonitrile - 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
Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 32083-60-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 32083-60-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 32083-60-6 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：

  2-(2-萘磺酰基)乙腈 在 sodium ethanolate 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 (Naphthalene-2-sulfonyl)-[3-(4-nitro-phenyl)-4-oxo-thiazolidin-(2Z)-ylidene]-acetonitrile
  参考文献：
  名称：

  Mehta; Trivedi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 12, p. 1146 - 1153

  摘要：

  DOI：
• 作为产物：
  描述：

  2-萘硫醇 在 双氧水 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 15.0h， 生成 2-(2-萘磺酰基)乙腈
  参考文献：
  名称：

  基于尿肽的布朗斯台德碱的设计，合成及在（对苯磺酰基）乙腈催化对映选择性合成β-氨基腈中的应用

  摘要：

  在亚胺上添加氰基烷基部分是制备β-氨基腈的一种非常有吸引力的方法。我们为立体选择性合成β-氨基腈提供了一种高效的有机催化方法，其中成功的关键是将基于尿素肽的布朗斯台德碱催化剂与（芳基磺酰基）乙腈结合使用作为乙腈阴离子的合成当量。该方法使人们能够以良好的收率和出色的对映选择性获得各种β-氨基腈，并拓宽了可用于合成的立体选择性曼尼希型方法。

  DOI：

  10.1002/chem.201304877

文献信息

• Novel naphthalenyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as
  申请人：American Home Products Corporation

  公开号：US04895861A1

  公开（公告）日：1990-01-23

  This invention relates to novel substituted 3H-1,2,3,5-oxathiadiazole 2-oxides, processes for their preparation, to methods for using the compounds, and to pharmaceutical preparations thereof. The compounds have pharmaceutical properties which render them beneficial for the treatment of diabetes mellitus and associated conditions.

  这项发明涉及新型取代的3H-1,2,3,5-噁硫二唑-2-氧化物，其制备方法，以及使用这些化合物的方法，以及其药物制剂。这些化合物具有药理特性，使它们对于治疗糖尿病及相关疾病有益。
• Catalytic Enantioselective Synthesis of Tertiary Thiols From 5<i>H</i>-Thiazol-4-ones and Nitroolefins: Bifunctional Ureidopeptide-Based Brønsted Base Catalysis
  作者：Saioa Diosdado、Julen Etxabe、Joseba Izquierdo、Aitor Landa、Antonia Mielgo、Iurre Olaizola、Rosa López、Claudio Palomo

  DOI：10.1002/anie.201305644

  日期：2013.11.4

  Fully loaded: The ureidopeptide‐based bifunctional Brønsted base 1 efficiently promotes the first direct catalytic Michael reaction of α‐mercapto carboxylate surrogates with nitroolefins involving a fully substituted α‐carbon atom construction.

  满载：基于脲肽的双官能布朗斯台德碱1有效促进α-巯基羧酸盐替代物与硝基烯烃的第一个直接催化迈克尔反应，该反应涉及完全取代的α-碳原子结构。
• COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES
  申请人：DUQUESNE UNIVERSITY OF THE HOLY GHOST

  公开号：US20150239833A1

  公开（公告）日：2015-08-27

  This invention relates to novel isonitriles, including arylsulfonyl isonitriles, and methods for their synthesis. The isonitriles include a conjugated ring system. The structure is designed with the flexibility to have multiple substitution patterns. The isonitriles may be used in applications including, but not limited to, pharmaceutical compositions.

  这项发明涉及新型异腈，包括芳基磺酰异腈，以及它们的合成方法。异腈包括一个共轭环系统。该结构设计具有多种取代模式的灵活性。异腈可用于包括但不限于药物组合物在内的应用中。
• A Concise Route to 2‐Sulfonylacetonitriles from Sodium Metabisulfite
  作者：Yanfang Yao、Ziqing Yin、Weiyun Chen、Wenlin Xie、Fu‐Sheng He、Jie Wu

  DOI：10.1002/adsc.202001243

  日期：2021.1.19

  A three‐component reaction of aryldiazonium tetrafluoroborates, sodium metabisulfite, and 3‐azido‐2‐methylbut‐3‐en‐2‐ol under mild conditions is described. By using abundant and cheap sodium metabisulfite as the sulfur dioxide surrogate, this protocol features good functional group compatibility, affording 2‐arylsulfonylacetonitriles in moderate to good yields. The reaction proceeds smoothly at room

  描述了在温和条件下四氟硼酸芳基重氮，偏亚硫酸氢钠和3-叠氮基-2-甲基丁-3-烯-2-醇的三组分反应。通过使用大量廉价的焦亚硫酸钠作为二氧化硫替代品，该方案具有良好的官能团相容性，可提供中等至良好收率的2-芳基磺酰基乙腈。反应在室温下平稳进行，不需要任何催化剂或添加剂。此外，该方法的合成效用通过将2-芳基磺酰基乙腈转化为2-芳基磺酰基乙酰胺和2-芳基磺酰基乙胺得到了证明。
• Pyridopyrimidine derivatives as 5-HT6 antagonists
  申请人：——

  公开号：US20040019064A1

  公开（公告）日：2004-01-29

  Novel pyridopyrimidine derivatives which have a binding affinity for the human 5-HT 6 receptor and, therefore, are useful in treating disorders responsive to antagonism of the 5-HT 6 receptor such as psychosis, schizophrenia, manic depression, depression, neurological disorder, memory disorder, Parkinson's disease, amyotrophic lateral sclerosis, Alzheimer's disease and Huntington's chorea.

  新型吡啶吡嘧啶衍生物具有与人类5-HT6受体结合亲和力，因此可用于治疗对5-HT6受体拮抗作用敏感的疾病，如精神病、精神分裂症、躁郁症、抑郁症、神经障碍、记忆障碍、帕金森病、肌萎缩侧索硬化、阿尔茨海默病和亨廷顿舞蹈症。