2,2-二甲基-1,3-苯并二氧五环-5-胺盐酸盐 | 75200-79-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: 2,2-二甲基-1,3-苯并二氧五环-5-胺盐酸盐
• 中文别名: 2,2-二甲基-1,3-苯并二氧代-5-胺盐酸盐
• 英文名称: 2,2-dimethylbenzo[1,3]dioxol-5-amine hydrochloride
• 英文别名: 3,4-isopropylidenedioxyaniline hydrochloride；2,2-Dimethylbenzo[d][1,3]dioxol-5-amine hydrochloride；2,2-dimethyl-1,3-benzodioxol-5-amine;hydrochloride
• CAS: 75200-79-2
• 化学式: C₉H₁₁NO₂*ClH
• mdl: MFCD06200886
• 分子量: 201.653
• InChiKey: BAJJTAFSZXKUPV-UHFFFAOYSA-N

物化性质

• 熔点：
  124 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  44.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2932999099

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2,2-Dimethyl-1,3-benzodioxol-5-amine, HCl
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 2,2-Dimethyl-1,3-benzodioxol-5-amine, HCl
CAS number: 75200-79-2

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H11NO2.ClH
Molecular weight: 201.7

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,2-二甲基-1,3-苯并二氧五环-5-胺盐酸盐 、 胡椒酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以67%的产率得到N-(2,2-dimethylbenzo[1,3]dioxol-5-yl)benzo[1,3]dioxole-5-carboxamide
  参考文献：
  名称：

  使用固定在硅胶上的无味硫醇实际裂解乙缩醛

  摘要：

  开发了一种实用，有效且通用的方法，使用在硅胶上官能化的硫醇将各种芳族和脂族缩醛脱保护为相应的邻苯二酚或二醇衍生物。这是著名的商业固载硫醇（Silia MetS®Thiol）的应用。该过程是温和的，并且可以扩大规模。它不需要惰性气氛，并且观察到干净的转化。此方法适用于具有不同功能的取代1,3-苯并二恶唑和脂族缩醛。它提供了高收率的常规路线的优势，可以在环境温度下进行。

  DOI：

  10.1002/ejoc.201901239

文献信息

• Tetrahydrocarbazoles and their use
  申请人：Sterling Drug Inc.

  公开号：US04224335A1

  公开（公告）日：1980-09-23

  There are disclosed novel 3-amino(and substituted amino)-hydroxy (and dihydroxy)-1,2,3,4-tetrahydrocarbazoles having positive inotropic activity and methods and compositions for the use thereof in treating the failing heart in mammals afflicted with congestive heart failure.

  本发明涉及具有正肌力作用的新型3-氨基（和取代氨基）-羟基（和二羟基）-1,2,3,4-四氢咔唑类化合物，以及在治疗患有充血性心力衰竭的哺乳动物中使用它们的方法和组合物。
• US4224335A
  申请人：——

  公开号：US4224335A

  公开（公告）日：1980-09-23
• Practical Cleavage of Acetals by Using an Odorless Thiol Immobilized on Silica
  作者：Mylène de Léséleuc、Andrew Kukor、Shaun D. Abbott、Boulos Zacharie

  DOI：10.1002/ejoc.201901239

  日期：2019.11.30

  A practical, efficient and general method was developed for the deprotection of a variety of aromatic and aliphatic acetals to their corresponding catechol or diol derivatives using thiol functionalized on silica gel. This is an application for the well‐known commercial solid‐supported thiol (Silia MetS ® Thiol). The procedure is mild and amenable to scale‐up. It does not require inert atmosphere and

  开发了一种实用，有效且通用的方法，使用在硅胶上官能化的硫醇将各种芳族和脂族缩醛脱保护为相应的邻苯二酚或二醇衍生物。这是著名的商业固载硫醇（Silia MetS®Thiol）的应用。该过程是温和的，并且可以扩大规模。它不需要惰性气氛，并且观察到干净的转化。此方法适用于具有不同功能的取代1,3-苯并二恶唑和脂族缩醛。它提供了高收率的常规路线的优势，可以在环境温度下进行。