1,2-Bis[(2S,5S)-2,5-diethylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate | 213343-64-7

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机铑
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2-Bis[(2S,5S)-2,5-diethylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
• 英文别名: cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
• CAS: 213343-64-7
• 化学式: C30H48BF4P2Rh-
• 分子量: 660.4
• InChiKey: XIOPHSBHVOCZMM-FGOMORKPSA-N

物化性质

• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  10.28
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  28439000
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P264,P280,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P405
• 危险品运输编号：
  1759
• 危险性描述：
  H314

SDS

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Section 1: Product Identification
(+)-1,2-Bis((2S,5S)-2,5-diethylphospholano)benzene(1,5-cyclooctadiene)rhodium (I) tetrafluoroborate, 98+%
Chemical Name:
(S,S)-Et-DUPHOS-Rh
CAS Registry Number: 213343-64-7
Formula: Rh(C8H12)(C22H36P2)+ BF4-
EINECS Number: none
Chemical Family: organometallic complex
Synonym: none

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 213343-64-7 100% 2.5mg/m3 (as F) 2.5mg/m3 (as F)

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Section 3: Hazards Identification
Emergency Overview: Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to skin, eyes and respiratory tract.
Ingestion: No information is available on the physiological effects of ingestion.
Acute Health Affects: 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: none
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
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
The material will degrade on prolonged exposure to air. Store under an inert atmosphere of nitrogen or argon.
Handling and Storage:
Keep bottle tightly sealed and 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: 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 Respiratory
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: 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: red-orange xtl.
Molecular Weight: 660.37
Melting Point: decomposes
Boiling Point: decomposes
Vapor Pressure: not applicable
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air-sensitive solid
Hazardous Polymerization: none
Conditions to Avoid: contact with air. This material may degrade on prolonged exposure to air and moisture.
Incompatibility: strong oxidizing agents
Decomposition Products: carbon dioxide, carbon monoxide, phosphorus pentoxide, organic fumes and fluorinated byproducts.

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SECTION 11: Toxicological Information
RTECS Data: No data available
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: not listed on the TSCA inventory
SARA (Title 313): not regulated by Title 313
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为试剂：
  描述：

  (Z)-2-benzyloxycarbonylamino-3-(5-bromo-2-methoxy-phenyl)-acrylic acid methyl ester 在 1,2-Bis[(2S,5S)-2,5-diethylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 氢气 、 crude product 、 Ethyl acetate ether hexane 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、67.54 MPa 条件下， 反应 72.0h， 生成 (S)-2-benzyloxycarbonylamino-3-(5-bromo-2-methoxy-phenyl)-propionic acid methyl ester
  参考文献：
  名称：

  Cyclic sulfones useful as BACE inhibitors

  摘要：

  本发明涉及新的杂环化合物，其化学式为：其中所有变量如规范中所定义，以自由碱形式或酸盐形式存在，涉及其制备，用作药物以及包含它们的药物。

  公开号：

  US20090099207A1