5-氨基-N,N'-二(2,3-二羟基丙基)间苯二甲酰胺 | 203515-86-0

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 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: 5-氨基-N,N'-二(2,3-二羟基丙基)间苯二甲酰胺
• 中文别名: 5-氨基-N,N'-双(2,3-二羟基丙基)间苯二甲酰胺盐酸盐；N,N'-双(2,3-二羟基丙基)-5-氨基-1,3-苯二甲酰胺；5-氨基-N,N’-二(2,3-二羟基丙基)间苯二甲酰胺
• 英文名称: 5-amino-N,N'-bis (2,3-dihydroxypropyl)isophthalamide
• 英文别名: 5-amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide hydrochloride；5-amino-N,N'-bis(2,3-dihydroxypropyl)-isophthalamide HCl salt；5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;hydrochloride
• CAS: 203515-86-0
• 化学式: C₁₄H₂₁N₃O₆*ClH
• 分子量: 363.798
• InChiKey: GNBBCFFLJFKAHB-UHFFFAOYSA-N

物化性质

• 密度：
  500 at 20℃
• LogP：
  -2.4 at 20℃ and pH7
• 表面张力：
  73mN/m at 1g/L and 20℃

计算性质

• 辛醇/水分配系数(LogP)：
  -6.27
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  167
• 氢给体数：
  7
• 氢受体数：
  7

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

5-Amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide Revision number: 1
Hydrochloride
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: 5-Amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide Hydrochloride

Revision number: 1

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
Not classified
PHYSICAL HAZARDS
HEALTH HAZARDS Not classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
None
Pictograms or hazard symbols
Signal word No signal word
Hazard statement None
Precautionary statements None

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
5-Amino-N,N'-bis(2,3-dihydroxypropyl)isophthalamide Hydrochloride
Component(s):
Percent: >98.0%(LC)(N)
203515-86-0
CAS Number:
Chemical Formula: C14H21N3O6·HCl

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Get medical advice/attention if you feel unwell. Rinse mouth.
Ingestion:
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Take care as it may decompose upon combustion or in high temperatures to
Specific hazards:
generate poisonous fume.
5-Amino-N,N'-bis(2,3-
dihydroxypropyl)isophthalamide Hydrochloride

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Section 5. FIRE-FIGHTING MEASURES
Specific methods: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Law is followed.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Solid
Physical state (20°C):
Form: crystal - powder
Color: White - Very pale yellow
Odor: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling Point/Range: No data available
Flash Point: No data available
Explosive limits
Lower: No data available
Upper: No data available
Density: No data available
Solubility: Soluble in : Water

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Stability:
Reactivity: No special reactivity has been reported.
Incompartible materials: oxidizing agents
5-Amino-N,N'-bis(2,3-
dihydroxypropyl)isophthalamide Hydrochloride

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Section 10. STABILITY AND REACTIVITY
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
Products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobillity in soil
log Pow: No data available
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
Not Listed
UN-No:

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.
5-Amino-N,N'-bis(2,3-
dihydroxypropyl)isophthalamide Hydrochloride

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-氨基-N,N'-二(2,3-二羟基丙基)间苯二甲酰胺 在 一氯化碘 作用下， 生成 5-氨基-2,4,6-三碘-N,N’-二(2,3-二羟基丙基)-1,3-苯二甲酰胺
  参考文献：
  名称：

  Yellow polymorph of 5-amino-2,4,6-triiodo-n,n′-bis(2-3-dihydroxypropy)-isophthalamide

  摘要：

  描述了5-氨基-2,4,6-三碘-N,N′-双(2,3-二羟丙基)-异苯酰胺的黄色多形态。

  公开号：

  US06337422B1

文献信息

• 光応答性化合物及び該化合物を有効成分とする光応答性分散剤
  申请人：国立研究開発法人産業技術総合研究所

  公开号：JP2019077679A

  公开（公告）日：2019-05-23

  【課題】分散剤を含む分散液に光を短時間照射することで、分散質が分散液中で分散と凝集を繰り返すことができる分散剤の提供。【解決手段】一般式(Ｉ)で表される光応答性化合物を有効成分とする分散剤。（Ｘ、Ｙは、（１）Ｘ：Ｃ＝Ｏ、Ｙ：ＮＨ（２）Ｘ：Ｏ、Ｙ：Ｃ＝Ｏ（３）Ｘ：Ｃ＝Ｏ、Ｙ：Ｏで示される組み合わせから選択される、アミド結合又はエステル結合；Ａは、スルホン酸、スルホン酸塩、カルボン酸又はカルボン酸塩からなるアニオン性の親水性官能基、もしくはヒドロキシル基又はポリエチレングリコール基からなるノニオン性の親水性官能基、もしくはアルキル基又はフルオロアルキル鎖からなる非親水性官能基；ｎは１以上３以下の整数を表す。）【選択図】なし

  通过将含有分散剂的分散液短时间照射光线，提供一种分散剂，使分散物质在分散液中反复分散和凝聚的方法。该分散剂以一般式(I)表示，其有效成分为光响应性化合物。（其中，X、Y为以下组合中选择：(1) X：C=O，Y：NH (2) X：O，Y：C=O (3) X：C=O，Y：O；A为阴离子性亲水性官能基，由磺酸、磺酸盐、羧酸或羧酸盐组成，或者由非离子性亲水性官能基，由羟基或聚乙二醇基组成，或者由烷基或氟烷基链组成；n表示大于等于1且小于等于3的整数。）【选择图】无
• [EN] CHELATE COMPOUNDS<br/>[FR] COMPOSÉS CHÉLATES
  申请人：GE HEALTHACRE AS

  公开号：WO2017220610A1

  公开（公告）日：2017-12-28

  The invention provides compounds of formula (I) suitable for use as contrast agents in magnetic resonance imaging (MRI). The compounds of the present invention are manganese (II) complexes having advantageous properties as compared with similar known compounds.

  该发明提供了适用于磁共振成像（MRI）对比剂的化合物（I）的公式。本发明的化合物是锰（II）配合物，具有与类似已知化合物相比具有优越性能的优点。
• Preparation of 5-amino-isophthalamides
  申请人：——

  公开号：US20020095053A1

  公开（公告）日：2002-07-18

  A process for preparing 5-amino-N,N′-bis(R)isophthalamides, where A is 2,3-dihydroxypropyl or 1,3-dihydroxyisopropyl, useful as intermediates in preparing iodinated diagnostic agents, which comprises reacting a di-lower-alkyl 5-nitroisophthalate with a compound of the formula RNH 2 in the presence of a basic catalyst and without isolating the intermediate 5-nitro-N,N′-bis(R)isophthalamide, catalytically hydrogenating the latter.

  一种制备5-氨基-N,N′-双(R)异苯二酰胺的方法，其中A为2,3-二羟基丙基或1,3-二羟基异丙基，可用作制备碘化诊断剂的中间体，包括在碱性催化剂存在下，将二低烷基5-硝基苯二甲酸酯与公式为RNH2的化合物反应，无需分离中间体5-硝基-N,N′-双(R)异苯二酰胺，催化氢化后制得。
• CONTINUOUS PROCESS OF PREPARING INTERMEDIATE FOR NON-IONIC X-RAY CONTRAST AGENTS
  申请人：ASKILDSEN ARNE

  公开号：US20110021834A1

  公开（公告）日：2011-01-27

  This invention relates to an improved method for the synthesis of 5-amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide (Compound B), an intermediate in the industrial preparation of non-ionic X-ray contrast agents. In particular, it relates to a continuous process of the iodination reaction followed by the purification of Compound B.

  本发明涉及一种改进的方法，用于合成5-氨基-N，N′-双(2,3-二羟丙基)-2,4,6-三碘异酞酰胺(化合物B)，该化合物是非离子X射线造影剂工业制备中的中间体。具体而言，它涉及一种碘化反应的连续过程，随后是化合物B的纯化。
• Decolorizing 5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, a contrast media intermediate
  申请人：GE Healthcare AS

  公开号：EP2281807A1

  公开（公告）日：2011-02-09

  This invention relates to an improved method for the synthesis of 5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide (Compound B), an intermediate in the industrial preparation of non-ionic X-ray contrast agents. In particular, it relates to a process for decolorizing said intermediate.

  本发明涉及一种改进的合成5-氨基-N,N'-双(2,3-二羟基丙基)-2,4,6-三碘异酞酰胺（化合物B）的方法，该化合物是非离子X射线造影剂工业制备中的中间体。具体而言，它涉及一种漂白该中间体的方法。