Mesoporphyrin ix dimethyl ester | 1263-63-4

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: Mesoporphyrin ix dimethyl ester
• 英文别名: methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
• CAS: 1263-63-4
• 化学式: C₃₆H₄₂N₄O₄
• 分子量: 594.7
• InChiKey: CQKDGYMHYLBWTQ-UHFFFAOYSA-N

物化性质

• 熔点：
  215°C
• 沸点：
  997.8±65.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，没有已知危险反应。请避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3

SDS

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Section 1: Product Identification
Chemical Name: Mesoporphyrin IX, dimethyl ester, 97%
CAS Registry Number: 1263-63-4
Formula: C36H42N4O4
EINECS Number: 215-030-1
Chemical Family: porphine (porphyrin) ligand
Synonym: Dimethyl 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine- 2,18-dipropionate

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 1263-63-4 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: No particular hazard associated with this material.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: May cause slight to mild irritation of the eyes.
Skin Contact: May cause slight to mild irritation of the skin.
Inhalation: May be irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No specific information is available on the physiological effects of ingestion.
Acute Health Affects: May be irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information available on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
If this material is involved in a fire, fire fighters should be equipped with a NIOSH approved, positive pressure
Special Fire Fighting Procedures:
self contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container. Keep away from heat and direct sunlight.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: purple xtl.
Molecular Weight: 594.76
Melting Point: 215°
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable solid
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: oxidizing agents
Decomposition Products: carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: No data available
Mutagenic Effects: No data available
Tetratogenic Effects: No data available

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Listed in the TSCA inventory.
SARA (Title 313): Not reportable under SARA Title 313
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  Mesoporphyrin ix dimethyl ester 以 ammonium hydroxide 为溶剂， 生成 中卟啉Ⅸ
  参考文献：
  名称：

  Methods for synthesizing metal mesoporphyrins

  摘要：

  实施例描述了合成金属中间体卟啉化合物的方法。在实施例中，可以通过血红素转金属化和随后的氢化锡原卟啉IX来形成金属中间体卟啉化合物。在其他实施例中，合成金属中间体卟啉化合物的方法包括从血红素形成原卟啉甲酯，然后通过金属插入和氢化将原卟啉甲酯中间体转化为金属中间体卟啉化合物。在其他实施例中，可以通过无氢氢化方法从血红素形成mesoporphyrin IX中间体，随后进行金属插入和氢化来形成金属中间体卟啉化合物。在实施例中，合成金属中间体卟啉化合物的方法包括形成mesoporphyrin IX二盐酸盐中间体化合物，并通过金属插入将mesoporphyrin IX中间体转化为金属中间体卟啉化合物。在实施例中，可以直接从血红素形成金属中间体卟啉化合物，而无需隔离任何中间体。

  公开号：

  US09181285B2
• 作为产物：
  描述：

  原卟啉IX二甲酯 在 钯 作用下， 以 二氯甲烷 为溶剂， 生成 Mesoporphyrin ix dimethyl ester
  参考文献：
  名称：

  Methods for synthesizing metal mesoporphyrins

  摘要：

  实施例描述了合成金属中间体卟啉化合物的方法。在实施例中，可以通过血红素转金属化和随后的氢化锡原卟啉IX来形成金属中间体卟啉化合物。在其他实施例中，合成金属中间体卟啉化合物的方法包括从血红素形成原卟啉甲酯，然后通过金属插入和氢化将原卟啉甲酯中间体转化为金属中间体卟啉化合物。在其他实施例中，可以通过无氢氢化方法从血红素形成mesoporphyrin IX中间体，随后进行金属插入和氢化来形成金属中间体卟啉化合物。在实施例中，合成金属中间体卟啉化合物的方法包括形成mesoporphyrin IX二盐酸盐中间体化合物，并通过金属插入将mesoporphyrin IX中间体转化为金属中间体卟啉化合物。在实施例中，可以直接从血红素形成金属中间体卟啉化合物，而无需隔离任何中间体。

  公开号：

  US09181285B2

文献信息

• Methods for synthesizing metal mesoporphyrins
  申请人：Boucher Christopher P.

  公开号：US08735574B2

  公开（公告）日：2014-05-27

  Embodiments describe methods of synthesizing metal mesoporphyrin compounds. In embodiments, a metal mesoporphyrin compound may be formed by hemin transmetallation and subsequent hydrogenation of the tin protoporphyrin IX to form a metal mesoporphyrin. In other embodiments, a method of synthesizing a metal mesoporphyrin compound comprises forming a protoporphyrin methyl ester from hemin and converting the protoporphyrin methyl ester intermediate to a metal mesoporphyrin compound through metal insertion and hydrogenation. In other embodiments, a metal mesoporphyrin compound may be formed from hemin by a hydrogen-free hydrogenation method to form a mesoporphyrin IX intermediate followed by metal insertion and hydrogenation. In embodiments, a method of synthesizing a metal mesoporphyrin compound comprises forming a mesoporphyrin IX dihydrochloride intermediate compound and converting the mesoporphyrin IX intermediate to a metal mesoporphyrin compound through metal insertion. In embodiments, a metal mesoporphyrin compound may be formed directly from hemin without isolation of any intermediates.

  实施例描述了合成金属中间体卟啉化合物的方法。在实施例中，可以通过血红素转金属作用和随后的锡原卟啉IX的氢化来形成金属中间体卟啉化合物。在其他实施例中，合成金属中间体卟啉化合物的方法包括从血红素形成原卟啉甲酯，通过金属插入和氢化将原卟啉甲酯中间体转化为金属中间体卟啉化合物。在其他实施例中，可以通过无氢氢化方法从血红素形成中间体卟啉IX，然后进行金属插入和氢化来形成金属中间体卟啉化合物。在实施例中，合成金属中间体卟啉化合物的方法包括形成中间体卟啉IX二盐酸盐化合物，并通过金属插入将中间体卟啉IX转化为金属中间体卟啉化合物。在实施例中，可以直接从血红素形成金属中间体卟啉化合物，而无需隔离任何中间体。
• METHODS FOR SYNTHESIZING METAL MESOPORPHYRINS
  申请人：INFACARE PHARMACEUTICAL CORPORATION

  公开号：US20140228560A1

  公开（公告）日：2014-08-14

  Embodiments describe methods of synthesizing metal mesoporphyrin compounds. In embodiments, a metal mesoporphyrin compound may be formed by hemin transmetallation and subsequent hydrogenation of the tin protoporphyrin IX to form a metal mesoporphyrin. In other embodiments, a method of synthesizing a metal mesoporphyrin compound comprises forming a protoporphyrin methyl ester from hemin and converting the protoporphyrin methyl ester intermediate to a metal mesoporphyrin compound through metal insertion and hydrogenation. In other embodiments, a metal mesoporphyrin compound may be formed from hemin by a hydrogen-free hydrogenation method to form a mesoporphyrin IX intermediate followed by metal insertion and hydrogenation. In embodiments, a method of synthesizing a metal mesoporphyrin compound comprises forming a mesoporphyrin IX dihydrochloride intermediate compound and converting the mesoporphyrin IX intermediate to a metal mesoporphyrin compound through metal insertion. In embodiments, a metal mesoporphyrin compound may be formed directly from hemin without isolation of any intermediates.

  实施例描述了合成金属介孔卟啉化合物的方法。在实施例中，金属介孔卟啉化合物可以通过血红素跨金属和随后的氢化锡原卟啉IX形成金属介孔卟啉。在其他实施例中，合成金属介孔卟啉化合物的方法包括从血红素形成原卟啉甲酯，通过金属插入和氢化将原卟啉甲酯中间体转化为金属介孔卟啉化合物。在其他实施例中，金属介孔卟啉化合物可以通过无氢氢化方法从血红素形成介孔卟啉IX中间体，然后进行金属插入和氢化来形成。在实施例中，合成金属介孔卟啉化合物的方法包括形成介孔卟啉IX二盐酸盐中间化合物，并通过金属插入将介孔卟啉IX中间体转化为金属介孔卟啉化合物。在实施例中，金属介孔卟啉化合物可以直接从血红素形成，无需隔离任何中间体。