2-(4-苯基-1,3-噻唑-2-基)乙酰胺 | 58351-19-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(4-苯基-1,3-噻唑-2-基)乙酰胺
• 英文名称: 2-(4-phenyl-1,3-thiazol-2-yl)acetamide
• 英文别名: 2-(4-phenyl-thiazol-2-yl)-acetamide；4-Phenylthiazol-2-acetamid
• CAS: 58351-19-2
• 化学式: C₁₁H₁₀N₂OS
• mdl: MFCD02180666
• 分子量: 218.279
• InChiKey: MITSOTISLAVGFW-UHFFFAOYSA-N

物化性质

• 熔点：
  193-194
• 沸点：
  No Data Availabe
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi

SDS

Name:	2-(4-Phenyl-1 3-thiazol-2-yl)acetamide 97% Material Safety Data Sheet
Synonym:
CAS:	58351-19-2

Section 1 - Chemical Product MSDS Name:2-(4-Phenyl-1 3-thiazol-2-yl)acetamide 97% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
58351-19-2	2-(4-Phenyl-1,3-thiazol-2-yl)acetamide	97%	unlisted

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

---

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

---

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.
Notes to Physician:
Treat symptomatically and supportively.

---

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.

---

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.

---

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.
Store under an inert atmosphere.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 58351-19-2: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 193 - 194 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: C11H10N2OS
Molecular Weight: 218

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 58351-19-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Phenyl-1,3-thiazol-2-yl)acetamide - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

Section 14 - TRANSPORT INFORMATION

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

---

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.
WGK (Water Danger/Protection)
CAS# 58351-19-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 58351-19-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 58351-19-2 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N,N-二甲基-4-亚硝基苯胺 、 2-(4-苯基-1,3-噻唑-2-基)乙酰胺 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以67%的产率得到2-[4-(dimethylamino)phenyl]imino-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
  参考文献：
  名称：

  El-Reedy, A. M.; Hussain, S. M.; Youssef, M. M. M., Journal fur praktische Chemie (Leipzig 1954), 1988, vol. 330, # 4, p. 521 - 529

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-Phenylthiazol-2-yl)acetessigsaeureethylester 在 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-(4-苯基-1,3-噻唑-2-基)乙酰胺
  参考文献：
  名称：

  Studies of heterocyclic compounds. VII. The reactions of 5,6-dihydrothiazolo(2,3-b)thiazolium salts with carbanions.

  摘要：

  5,6-二氢噻唑并[2,3-b]噻唑盐(1)与乙酰乙酸钠反应，生成3-(2-噻唑基)乙酰乙酸(2)，同时脱去硫杂环丙烷和2-丙酮亚甲基-3-乙酰硫乙基-4-噻唑啉(3)。1与乙酰乙酸乙酯钠盐反应得到乙基2-(2-噻唑基)乙酰乙酸酯(12)，而1与氰乙酸乙酯钠盐和丙二腈钠盐反应则生成2-取代噻唑(16)、3-(2-巯基乙基)噻唑啉(17)及其二硫化物(18)。根据甲基化产物的结构及其分光光度特性，讨论了2、12和16的互变异构形式。

  DOI：

  10.1248/cpb.23.3254

文献信息

• [EN] COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE MALADIES PARASITAIRES
  申请人：IRBM SCIENCE PARK S P A

  公开号：WO2014067985A1

  公开（公告）日：2014-05-08

  The present invention relates to compounds useful for treating parasitic diseases, which are infectious diseases caused or transmitted by a parasite. Compounds of the invention are particularly active against the causative pathogens in malaria. Such compounds are selective inhibitors of parasitic histone deacetylase (PfHDAC) and suppress the growth of parasites, such as Plasmodium falciparum, at a lower concentration than the concentration required for the inhibition of the growth of mammalian cells.

  本发明涉及用于治疗寄生虫病的化合物，这些疾病是由寄生虫引起或传播的传染病。本发明的化合物对疟疾病原体特别活跃。这些化合物是寄生虫组蛋白去乙酰化酶（PfHDAC）的选择性抑制剂，能够抑制寄生虫（如疟原虫）的生长，且所需浓度低于抑制哺乳动物细胞生长所需的浓度。
• New Options of Multicomponent Condensations Leading to Functional Derivatives of 2-Pyridons
  作者：I. V. Dyachenko、V. D. Dyachenko、P. V. Dorovatovskii、V. N. Khrustalev、V. G. Nenaidenko

  DOI：10.1134/s1070428021110026

  日期：2021.11
• Krauze; Vijums; Sile, Heterocyclic Communications, 2009, vol. 15, # 4, p. 239 - 244
  作者：Krauze、Vijums、Sile、Duburs

  DOI：——

  日期：——
• EL-REEDY, A. M.;HUSSAIN, S. M.;YOUSSEF, M. M. M., J. PRAKT. CHEM., 330,(1988) N 4, C. 521-529
  作者：EL-REEDY, A. M.、HUSSAIN, S. M.、YOUSSEF, M. M. M.

  DOI：——

  日期：——
• COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA
  申请人：Grembecka Jolanta

  公开号：US20110065690A1

  公开（公告）日：2011-03-17

  The invention relates generally to effective treatment leukemia. In particular, the present invention provides compositions and methods to inhibit the interaction of menin with MLL and MLL-fusion oncoproteins, and well as systems and methods to screen for such compositions.