3-amino-2-methyl acrolein | 30989-81-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-amino-2-methyl acrolein
• 英文别名: 3-amino-2-methylacrolein；3-amino-2-methylpropenal；3-Amino-2-methyl-acrolein；2-Methyl-3-aminoacrolein；3-Amino-acrolein；3-Amino-2-methylprop-2-enal
• CAS: 30989-81-2
• 化学式: C₄H₇NO
• 分子量: 85.1057
• InChiKey: OEZAAXHZEMTBOV-UHFFFAOYSA-N

物化性质

• 熔点：
  101 °C
• 沸点：
  278.5±13.0 °C(Predicted)
• 密度：
  0.956±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R20/21/22,R34
• 海关编码：
  2922399090
• 危险品运输编号：
  UN 2923

SDS

Name:	3-Amino-2-methylacrylaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	30989-81-2

Section 1 - Chemical Product MSDS Name:3-Amino-2-methylacrylaldehyde 97% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
30989-81-2	3-Amino-2-methylacrylaldehyde	97%	unlisted

Hazard Symbols: C
Risk Phrases: 20/21/22 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

---

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

---

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# 30989-81-2: 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: brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 111 - 113 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: C4H7NO
Molecular Weight: 85

---

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

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 30989-81-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Amino-2-methylacrylaldehyde - 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
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2923
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2923
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2923
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 30989-81-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 30989-81-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 30989-81-2 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：

  2,4,6-三氨基嘧啶 、 3-amino-2-methyl acrolein 在 哌啶乙酸盐 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 以57%的产率得到2,4-Diamino-6-methylpyrido<2,3-d>pyrimidine
  参考文献：
  名称：

  某些1,3-二取代的四氢嘧啶并[4,5- c ]异喹啉的合成及抗肿瘤作用†

  摘要：

  6-氨基-2,4-二氧嘧啶或2,4,6-三氨基嘧啶与1-环己烯甲醛13的环缩合反应可以区域特异性地形成三环，有角的1,3-二取代的四氢嘧啶[4,5 - c ]异喹啉5和6个。此外，当与2-氯-1-环己烯-甲醛14缩合时，2,4,6-三氨基嘧啶，区域特异性地提供了角异构体6。然而，2,6-二氨基-4-氧嘧啶与13的环缩合是区域选择性的，并提供线性和有角的四氢嘧啶异喹啉2和4的混合物。。在9×10 -8 M，白血病L-1210细胞在培养物中的生长被6抑制了50％。化合物4和5没有明显的活性。

  DOI：

  10.1002/jhet.5570230243
• 作为产物：
  描述：

  2-甲基-3-乙氧基丙烯醛 在 氨 、 sodium chloride 作用下， 以103 g的产率得到3-amino-2-methyl acrolein
  参考文献：
  名称：

  Optimization of the reaction conditions for the synthesis of 2,3,5-trimethylpyridine from 3-amino-2-methylpropenal and methylethylketone

  摘要：

  研究了温度、反应时间和催化剂类型对以 3-氨基-2-甲基丙烯醛和甲基乙基酮为原料合成 2,3,5-三甲基吡啶（考来丁）的产率的影响。3- 氨基-2-甲基丙烯醛是由 3-乙氧基-2-甲基丙烯醛合成的，而之前的甲基丙二醛四乙缩醛是由原甲酸三乙酯和丙烯基醚合成的。研究合成的最佳条件是温度为 150 摄氏度，反应时间为 24 小时，催化剂为 CH3COOH/pTsOH。该合成是在酸性介质中合成 2,3,5-三甲基吡啶的首次成功尝试。

  DOI：

  10.2298/jsc210918042u

文献信息

• [EN] BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT<br/>[FR] DÉRIVÉS DE BENZODIAZÉPINE, COMPOSITIONS ET MÉTHODES DE TRAITEMENT DE LA DÉFICIENCE COGNITIVE
  申请人：MEKONNEN BELEW

  公开号：WO2016205739A1

  公开（公告）日：2016-12-22

  This invention relates to benzodiazepine derivatives, compositions comprising therapeutically effective amounts of those benzodiazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders. In particular, it relates to the use of a α5- containing GABAA receptor agonist (e.g., a α5-containing GABAA receptor positive allosteric modulator) as described herein in treating cognitive impairment associated with central nervous system (CNS) disorders in a subject in need or at risk thereof, including, without limitation, subjects having or at risk for age-related cognitive impairment, Mild Cognitive Impairment (MCI), amnestic MCI (aMCI), Age- Associated Memory Impairment (AAMI), Age Related Cognitive Decline (ARCD), dementia, Alzheimer' s Disease(AD), prodromal AD, post traumatic stress disorder (PTSD), schizophrenia, bipolar disorder, amyotrophic lateral sclerosis (ALS), cancer-therapy-related cognitive impairment, mental retardation, Parkinson' s disease (PD), autism spectrum disorders, fragile X disorder, Rett syndrome, compulsive behavior, and substance addiction.

  这项发明涉及苯二氮卓啉衍生物，包括含有这些苯二氮卓啉衍生物的治疗有效量的组合物，以及使用这些衍生物或组合物治疗与中枢神经系统（CNS）疾病相关的认知障碍的方法。具体而言，它涉及在需要或有风险的受试者中治疗与中枢神经系统（CNS）疾病相关的认知障碍，包括但不限于具有或有风险患上与年龄相关的认知障碍、轻度认知障碍（MCI）、遗忘性MCI（aMCI）、年龄相关记忆障碍（AAMI）、年龄相关认知衰退（ARCD）、痴呆症、阿尔茨海默病（AD）、前驱期AD、创伤后应激障碍（PTSD）、精神分裂症、躁郁症、肌萎缩侧索硬化（ALS）、癌症治疗相关认知障碍、智力障碍、帕金森病（PD）、自闭症谱系障碍、脆性X综合症、雷特综合症、强迫行为和物质成瘾。
• BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT
  申请人：AgeneBio, Inc.

  公开号：US20180170941A1

  公开（公告）日：2018-06-21

  This invention relates to benzodiazepine derivatives, compositions comprising therapeutically effective amounts of those benzodiazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders. In particular, it relates to the use of a α5-containing GABA A receptor agonist (e.g., a α5-containing GABA A receptor positive allosteric modulator) as described herein in treating cognitive impairment associated with central nervous system (CNS) disorders in a subject in need or at risk thereof, including, without limitation, subjects having or at risk for age-related cognitive impairment, Mild Cognitive Impairment (MCI), amnestic MCI (aMCI), Age-Associated Memory Impairment (AAMI), Age Related Cognitive Decline (ARCD), dementia, Alzheimer's Disease(AD), prodromal AD, post traumatic stress disorder (PTSD), schizophrenia, bipolar disorder, amyotrophic lateral sclerosis (ALS), cancer-therapy-related cognitive impairment, mental retardation, Parkinson's disease (PD), autism spectrum disorders, fragile X disorder, Rett syndrome, compulsive behavior, and substance addiction. It also relates to the use of a α5-containing GABA A receptor agonist (e.g., a α5-containing GABA A receptor positive allosteric modulator) as described herein in treating brain cancers (including brain tumors, e.g., medulloblastomas), and cognitive impairment associated therewith.

  这项发明涉及苯二氮卓啉衍生物，包括含有这些苯二氮卓啉衍生物的治疗有效量的组合物，以及使用这些衍生物或组合物治疗与中枢神经系统（CNS）疾病相关的认知障碍的方法。具体而言，它涉及在需要或有风险的受试者中治疗与中枢神经系统（CNS）疾病相关的认知障碍，包括但不限于患有或有风险患有与年龄相关的认知障碍、轻度认知障碍（MCI）、遗忘性MCI（aMCI）、年龄相关记忆障碍（AAMI）、年龄相关认知衰退（ARCD）、痴呆症、阿尔茨海默病（AD）、前驱期AD、创伤后应激障碍（PTSD）、精神分裂症、躁郁症、肌萎缩侧索硬化（ALS）、癌症治疗相关认知障碍、智力障碍、帕金森病（PD）、自闭症谱系障碍、脆性X综合症、瑞特综合症、强迫行为和物质成瘾。它还涉及在治疗与之相关的脑癌（包括脑肿瘤，例如髓母细胞瘤）和认知障碍的情况下，如本文所述使用α5含有的GABAA受体激动剂（例如，α5含有的GABAA受体正向变构调节剂）。
• [EN] BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT<br/>[FR] DÉRIVÉS DE BENZODIAZÉPINE, COMPOSITIONS ET PROCÉDÉS DE TRAITEMENT DE LA DÉFICIENCE COGNITIVE
  申请人：AGENEBIO INC

  公开号：WO2015095783A1

  公开（公告）日：2015-06-25

  This invention relates to benzodiazepine derivatives, compositions comprising therapeutically effective amounts of those benzodiazepine derivatives and methods of using those derivatives or compositions in treating cognitive impairment associated with central nervous system (CNS) disorders. In particular, it relates to the use of a a5- containing GABAA receptor agonist (e.g., a α5 -containing GABAA receptor positive allosteric modulator) as described herein in treating cognitive impairment associated with central nervous system (CNS) disorders in a subject in need or at risk thereof, including, without limitation, subjects having or at risk for age-related cognitive impairment, Mild Cognitive Impairment (MCI), amnestic MCI (aMCI), Age-Associated Memory Impairment (AAMI), Age Related Cognitive Decline (ARCD), dementia, Alzheimer's Disease(AD), prodromal AD, post traumatic stress disorder (PTSD), schizophrenia, bipolar disorder, amyotrophic lateral sclerosis (ALS), cancer-therapy-related cognitive impairment, mental retardation, Parkinson's disease (PD), autism spectrum disorders, fragile X disorder, Rett syndrome, compulsive behavior, and substance addiction.

  这项发明涉及苯二氮卓啉衍生物，包括含有这些苯二氮卓啉衍生物的治疗有效量的组合物，以及使用这些衍生物或组合物治疗与中枢神经系统（CNS）疾病相关的认知障碍的方法。具体而言，它涉及在需要或有风险的受试者中治疗与中枢神经系统（CNS）疾病相关的认知障碍，包括但不限于患有或有风险患有与年龄相关的认知障碍、轻度认知障碍（MCI）、遗忘性MCI（aMCI）、年龄相关记忆障碍（AAMI）、年龄相关认知衰退（ARCD）、痴呆、阿尔茨海默病（AD）、前驱期AD、创伤后应激障碍（PTSD）、精神分裂症、躁郁症、肌萎缩侧索硬化（ALS）、癌症治疗相关认知障碍、智力障碍、帕金森病（PD）、自闭症谱系障碍、脆性X综合症、瑞特综合症、强迫行为和物质成瘾中所述的α5-含GABAA受体激动剂（例如，α5-含GABAA受体正向变构调节剂）的使用。
• 一种N-2-吡啶基-5-嘧啶甲胺的制备方法
  申请人：雅本化学股份有限公司

  公开号：CN109020952A

  公开（公告）日：2018-12-18

  本发明涉及农药中间体制备技术领域，且公开了一种N‑2‑吡啶基‑5‑嘧啶甲胺的制备方法，包括以下步骤：将3‑乙氧基‑2‑甲基丙烯醛与氨水进行氨化反应生成3‑氨基‑2‑甲基丙烯醛，氨水的质量浓度为20‑25％，所述3‑乙氧基‑2‑甲基丙烯醛和氨的摩尔比为1:1.0‑1.5:1.0‑6.0。该N‑2‑吡啶基‑5‑嘧啶甲胺的制备方法，通过以3‑乙氧基‑2‑甲基丙烯醛为起始原料，经过氨化、环化和溴化得到5‑溴甲基嘧啶，然后与2‑氨基吡啶反应得到目的产物，本发明采用价格低廉易得3‑乙氧基丙烯醛，相比常规工艺中使用昂贵的5‑嘧啶甲醛，大大降低了生产的成本，同时本发明所述制备方法具有收率高的优点，成本低，制作的效率更高，在低成本的情况下能够制备出更多的N‑2‑吡啶基‑5‑嘧啶甲胺，实用性更高。
• 一种X射线可显影分子、栓塞微球及其制备方法
  申请人：上海汇禾医疗科技有限公司

  公开号：CN114262279B

  公开（公告）日：2022-12-16

  本发明提出了一种X射线可显影分子、栓塞微球及其制备方法，属于医用材料技术领域，包括以下步骤：步骤1：制备X射线可显影的分子，所述分子由具有氨基和醛、半缩醛或缩醛结构的分子与碘苯衍生物反应得到，所述X射线可显影的分子具有酰胺结构；步骤2：将X射线可显影的分子与以多羟基聚合物为主链的微球连接，制备出X射线可显影的栓塞微球。本发明提供的微球具X射线显影性和载药性，且制备方法简单，让医生可在X射线透视下直接观察栓塞材料到达的部位，便于术中操作，容易掌握栓塞程度，有效避免血管内治疗过程中各种并发症的发生。