(S)-2,2-二甲基-1,3-二氧戊环-4-乙酰胺 | 185996-33-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (S)-2,2-二甲基-1,3-二氧戊环-4-乙酰胺
• 英文名称: (S)-4-(2,2-dimethyl)-1,3-dioxolane acetamide
• 英文别名: (S)-2,2-dimethyl-1,3-dioxolan-4-acetamide；(S)-2,2-dimethyl-1,3-dioxolane-4-acetamide；2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetamide
• CAS: 185996-33-2
• 化学式: C₇H₁₃NO₃
• 分子量: 159.185
• InChiKey: PDKGYPMMTGPUCJ-YFKPBYRVSA-N

物化性质

• 熔点：
  108-109 °C
• 沸点：
  284.67°C (rough estimate)
• 密度：
  1.2013 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25

SDS

Name:	(S)-2 2-Dimethyl-1 3-Dioxolane-4-Acetamide Material Safety Data Sheet
Synonym:	None Known
CAS:	185996-33-2

Section 1 - Chemical Product MSDS Name:(S)-2 2-Dimethyl-1 3-Dioxolane-4-Acetamide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
185996-33-2	(S)-2,2-Dimethyl-1,3-Dioxolane-4-Aceta	ca. 100	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. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.

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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 breathing dust, vapor, mist, or gas. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 185996-33-2: 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:
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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 108-109 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: Soluble.
Specific Gravity/Density:
Molecular Formula: C7H13NO3
Molecular Weight: 159.0959

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Unstable.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 185996-33-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-2,2-Dimethyl-1,3-Dioxolane-4-Acetamide - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 185996-33-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 185996-33-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 185996-33-2 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：

  (S)-2,2-二甲基-1,3-二氧戊环-4-乙酰胺 在 lithium aluminium tetrahydride 、 氢氧化钾 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以77%的产率得到2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
  参考文献：
  名称：

  WO2008/20206

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl (3S)-3,4-O-isopropylidene-3,4-dihydroxybutanoate 在 氨 作用下， 以 水 为溶剂， 反应 24.0h， 以96%的产率得到(S)-2,2-二甲基-1,3-二氧戊环-4-乙酰胺
  参考文献：
  名称：

  Synthetic studies towards pateamine, a novel thiazole-based 19-membered bis-lactone from Mycale sp

  摘要：

  A concise synthesis of the 19-membered bis-lactone core 2b present in pateamine 1 using chiral pool starting materials and featuring an intramolecular Stille coupling reaction as a key stratagem, is described. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02098-9

文献信息

• Substituted Pyrrolidine-2-Carboxamides
  申请人：Ding Qingjie

  公开号：US20100075948A1

  公开（公告）日：2010-03-25

  There are provided compounds of the formula wherein X, Y, R 1 , R 2 , R 3 , R 3 , R 4 , R 5 , R 6 and R 7 are as described herein and enantiomers and pharmaceutically acceptable salts and esters thereof. The compounds are useful as anticancer agents.

  提供了以下式的化合物 其中X、Y、R1、R2、R3、R3、R4、R5、R6和R7如本文所述，以及其对映体和药用可接受的盐和酯。这些化合物可用作抗癌药物。
• Gold(I)-catalyzed, one-pot, oxidative formation of 2,4-disubstituted thiazoles: Application to the synthesis of a pateamine-related macrodiolide
  作者：Tao Xu、Claire Cuyamendous、Sarah L. Brown、Sarah K. Andreassend、Hemi Cumming、Gary B. Evans、Paul H. Teesdale-Spittle、Joanne E. Harvey

  DOI：10.1016/j.tet.2021.132109

  日期：2021.5

  Thiazoles are important heterocyclic motifs in many target molecules. Extension of a reported gold(I)-catalyzed oxidative coupling of alkynes and thioamides to the synthesis of functionalized thiazole-containing products is presented, including the compatibility of this reaction with ester, protected hydroxyl, alkene and thioether groups. The utility of this one-pot process is demonstrated in the preparation

  噻唑是许多靶分子中重要的杂环基序。提出了已报道的炔烃和硫代酰胺的金（I）催化的氧化偶联至官能化的含噻唑产物的合成，包括该反应与酯，被保护的羟基，烯烃和硫醚基团的相容性。一锅法的实用性在制备简化的帕他命A类似物的含噻唑的大环氧化物中得到了证明。
• DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR
  申请人：MEDSHINE DISCOVERY INC.

  公开号：US20170197986A1

  公开（公告）日：2017-07-13

  Disclosed is a dihydropyrimido fused ring derivative as a HBV inhibitor, and in particular relates to a compound shown as formula (I) or a pharmaceutically acceptable salt thereof.

  本发明公开了一种二氢嘧啶并环衍生物作为HBV抑制剂，特别涉及一种如下式（I）所示的化合物或其药用可接受的盐。
• [EN] SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES<br/>[FR] PYRROLIDINE-2-CARBOXAMIDES SUBSTITUÉS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010031713A1

  公开（公告）日：2010-03-25

  There are provided compounds of the formula (I) wherein X, Y, R1, R2, R3, R3, R4, R5, R6 and R7 are as described herein and enantiomers and pharmaceutically acceptable salts and esters thereof. The compounds are useful as anticancer agents.

  提供了公式（I）的化合物，其中X，Y，R1，R2，R3，R3，R4，R5，R6和R7如本文所述，并提供其对映体和药学上可接受的盐和酯。这些化合物可用作抗癌剂。
• FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS
  申请人：Laing Victoria Elizabeth

  公开号：US20090264411A1

  公开（公告）日：2009-10-22

  A series of 4,5,6,7-tetrahydrothieno[2,3-c]azepin-8-one derivatives, and analogues thereof, which are substituted in the 2-position by a substituted anilino moiety, being selective inhibitors of human MEK (MAPKK) enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, proliferative (including oncological) and nociceptive conditions.

  一系列4,5,6,7-四氢噻吩[2,3-c]唑啉-8-酮衍生物及其类似物，在2位被取代的苯胺基团取代下，是选择性抑制人类MEK（MAPKK）酶的，因此在医学上具有益处，例如在治疗炎症、自身免疫、心血管、增生（包括肿瘤）和疼痛性疾病方面。