3-氨基邻苯二甲酸盐酸二水合物 | 6946-22-1

• 物质功能分类: 化学试剂 - 有机试剂 - 芳香酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氨基邻苯二甲酸盐酸二水合物
• 中文别名: 3-氨基邻苯二甲酸盐酸盐二水合物；3-氨基邻苯二甲酸盐酸盐水化合物；3-氨基邻苯二甲酸盐酸盐
• 英文名称: 3-aminophthalic acid hydrochloride
• 英文别名: 3-aminophthalic acid;hydron;chloride
• CAS: 6946-22-1
• 化学式: C₈H₇NO₄*ClH
• mdl: MFCD00017644
• 分子量: 217.609
• InChiKey: ZBZAVEORKXFUQB-UHFFFAOYSA-N

物化性质

• 熔点：
  182 °C
• 溶解度：
  可溶于DMSO（轻微）、甲醇（非常轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  4
• 氢受体数：
  5

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xn
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2922499990
• 储存条件：
  室温且干燥环境中使用。

SDS

Name:	3-Aminophthalic Acid Hydrochloride 98% (Titr.) Material Safety Data Sheet
Synonym:	3-Amino-1,2-Benzenedicarboxylic Acid Hydrochloride
CAS:	6946-22-1

Section 1 - Chemical Product MSDS Name:3-Aminophthalic Acid Hydrochloride 98% (Titr.) Material Safety Data Sheet
Synonym:3-Amino-1,2-Benzenedicarboxylic Acid Hydrochloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6946-22-1	3-Aminophthalic Acid Hydrochloride	98	230-106-4

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: Immediately 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:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. 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 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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6946-22-1: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white to off-white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 182 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C8H7NO4.HCl
Molecular Weight: 217.61

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6946-22-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Aminophthalic Acid Hydrochloride - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 6946-22-1: No information available.
Canada
CAS# 6946-22-1 is listed on Canada's DSL List.
CAS# 6946-22-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6946-22-1 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

应用3-氨基邻苯二甲酸盐酸二水合物是一种有机酸化合物，可以作为有机合成的中间体和医药中间体，在实验室研发及化工医药合成过程中得到广泛应用。

反应信息

• 作为反应物：
  描述：

  3-氨基邻苯二甲酸盐酸二水合物 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 33.25h， 生成 阿普斯特
  参考文献：
  名称：

  一种阿普斯特的制备方法及其中间体

  摘要：

  本发明提供了一种阿普斯特的制备方法及其中间体。本发明提供了一种式Ⅲ所示的阿普斯特中间体，并通过式Ⅲ化合物依次和甲基亚磺酸盐反应、还原胺化、和不对称酸成盐、和3‑乙酰氨基邻苯二甲酸酐反应得到阿普斯特。本发明提供的合成阿普斯特的方法可以避免使用正丁基锂正己烷溶液，既降低了生产成本，又方便了操作过程，而且很大程度上提高了工业生产中的安全性，并且更为适宜工业化的连续生产。本发明所提供的3‑乙酰氨基邻苯二甲酸酐制备方法的产率提高至81％，收率较高，极其适用于阿普斯特的工业化生产。

  公开号：

  CN105622380B
• 作为产物：
  描述：

  3-硝基邻苯二甲酸 在 palladium 10% on activated carbon 、 氢气 、 盐酸 作用下， 以 乙醇 、 丙酮 为溶剂， 10.0~25.0 ℃ 、200.0 kPa 条件下， 反应 3.0h， 以65 g的产率得到3-氨基邻苯二甲酸盐酸二水合物
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARATION OF APREMILAST
  [FR] PROCÉDÉ DE PRÉPARATION D'APRÉMILAST

  摘要：

  本发明涉及一种制备阿普利莫司特的方法。本发明涉及阿普利莫司特的对二甲苯溶剂结晶体以及其制备方法。

  公开号：

  WO2017033116A1

文献信息

• Processes for the preparation of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione compounds
  申请人：Ge Chuanshen

  公开号：US20070004920A1

  公开（公告）日：2007-01-04

  The present invention provides new processes for the preparation of unsubstituted and substituted 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione compounds which are usefuil, for example, for preventing or treating diseases or conditions related to an abnormally high level or activity of TNF-α. The invention can provide improved and/or efficient processes for the commercial production of unsubstituted and substituted 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione compounds, including, but not limited to, unsubstituted 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione.

  本发明提供了新的制备未取代和取代的4-氨基-2-(2,6-二氧杂哌啶-3-基)异吲哚啉-1,3-二酮化合物的方法，这些化合物例如可用于预防或治疗与TNF-α水平或活性异常升高相关的疾病或状况。本发明能够提供改进和/或有效的商业生产未取代和取代的4-氨基-2-(2,6-二氧杂哌啶-3-基)异吲哚啉-1,3-二酮化合物的方法，包括但不限于未取代的4-氨基-2-(2,6-二氧杂哌啶-3-基)异吲哚啉-1,3-二酮。
• [EN] METHOD FOR THE PRODUCTION OF POMALIDOMIDE<br/>[FR] PROCÉDÉ DE PRODUCTION DE POMALIDOMIDE
  申请人：EGIS GYÓGYSZERGYÁR ZRT

  公开号：WO2017134476A1

  公开（公告）日：2017-08-10

  The object of the invention relates to a novel group of compounds of general formula 20 that may be used as an intermediate for the production of the pharmaceutical active substance pomalidomide. The object of the invention also relates to a novel, cost-effective, productive method for the production of pomalidomide that can also be implemented on industrial scales via the novel compound of formula 20 according to the invention.

  该发明的对象涉及一类新的化合物，其一般式为20，可用作生产药用活性物质泊马利度胺的中间体。该发明的对象还涉及一种新颖、具有成本效益的生产泊马利度胺的方法，该方法也可通过根据该发明的一般式20的新化合物在工业规模上实施。
• [EN] QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES<br/>[FR] DÉRIVÉS DE QUINAZOLINE POUR LE TRAITEMENT D'INFECTIONS VIRALES ET D'AUTRES MALADIES
  申请人：JANSSEN R & D IRELAND

  公开号：WO2012156498A1

  公开（公告）日：2012-11-22

  This invention relates to quinazoline derivatives, processes for their preparation, pharmaceutical compositions, and their use in therapy of disorders in which the modulation of toll - like - receptors is involved.

  这项发明涉及喹唑啉衍生物，其制备方法，药物组合物以及它们在调节类似于toll受体参与的疾病治疗中的用途。
• QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES
  申请人：McGowan David

  公开号：US20140073642A1

  公开（公告）日：2014-03-13

  This invention relates to quinazoline derivatives, processes for their preparation, pharmaceutical compositions, and their use in therapy of disorders in which the modulation of toll-like-receptors is involved.

  这项发明涉及喹唑啉衍生物，其制备方法，药物组合物以及它们在调节Toll样受体参与的疾病治疗中的应用。
• [EN] PROCESS FOR THE PREPARATION OF POMALIDOMIDE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE POMALIDOMIDE
  申请人：SUN PHARMACEUTICAL IND LTD

  公开号：WO2018154516A1

  公开（公告）日：2018-08-30

  The present invention relates to a process for the preparation of pomalidomide. The present invention also provides a process for the preparation of 2-(2,6-dioxopiperidin-3-yl)-4-nitro-1H-isoindole-1,3(2H)-dione, a compound of Formula II and its use for the preparation of pomalidomide. The pomalidomide may be made having a yield greater than 97% and the 2-(2,6-dioxopiperidin-3-yl)-4-nitro-1H-isoindole-1,3(2H)-dione (Formula II) may be made having a yield greater than 88%.

  本发明涉及一种制备泊马利胺的方法。本发明还提供了一种制备2-(2,6-二氧代哌啶-3-基)-4-硝基-1H-异吲哚-1,3(2H)-二酮（化合物II）的方法及其用于制备泊马利胺。泊马利胺的产率可达97%以上，而2-(2,6-二氧代哌啶-3-基)-4-硝基-1H-异吲哚-1,3(2H)-二酮（化合物II）的产率可达88%以上。

表征谱图