O,O-联苯-L-酒石酸酐 | 17637-11-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: O,O-联苯-L-酒石酸酐
• 英文名称: dibenzoyl-D-tartaric anhydride
• 英文别名: Tartaric anhydride dibenzoate；(4-benzoyloxy-2,5-dioxooxolan-3-yl) benzoate
• CAS: 17637-11-5
• 化学式: C₁₈H₁₂O₇
• 分子量: 340.289
• InChiKey: OXIKRMSPXYQFOT-UHFFFAOYSA-N

物化性质

• 熔点：
  174 °C
• 沸点：
  533.6±50.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  96
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2917399090

SDS

Name:	(+)-Dibenzoyl-L-Tartaric Anhydride Material Safety Data Sheet
Synonym:	None Known
CAS:	17637-11-5

Section 1 - Chemical Product MSDS Name:(+)-Dibenzoyl-L-Tartaric Anhydride Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17637-11-5	(+)-Dibenzoyl-L-Tartaric Anhydride	ca. 100	241-621-9

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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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 water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 17637-11-5: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 174 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H12O7
Molecular Weight: 340.28

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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.
Incompatibilities with Other Materials:
Oxidizing agents, strong acids, water.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17637-11-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(+)-Dibenzoyl-L-Tartaric Anhydride - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 17637-11-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17637-11-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17637-11-5 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲基苯甲醚 、 O,O-联苯-L-酒石酸酐 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到4-methoxy-3-methylbenzophenone
  参考文献：
  名称：

  使用酯的 Friedel-Crafts 酰化反应

  摘要：

  描述了使用非常简单的试剂和活化基团在室温下各种脂肪族和芳香族酯的分子间和分子内 Friedel-Crafts 酰化反应。产品以良好的收率（60-85%）获得。通过 DFT 计算研究了详细的机械路径，并得到了实验证据的支持。

  DOI：

  10.1002/ejoc.201201181
• 作为产物：
  描述：

  L-酒石酸 、 苯甲酰氯 生成 O,O-联苯-L-酒石酸酐
  参考文献：
  名称：

  Pictet, Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1882, p. 855

  摘要：

  DOI：

文献信息

• Synthesis and configurational assignment of optically active 1-hydroxyindolizidines
  作者：Constance M. Harris、Thomas M. Harris

  DOI：10.1016/s0040-4039(00)96147-1

  日期：1987.1

  The four diastereomers of 1-hydroxyindolizidine have been prepared in high optical purity (>98%) by NaBH4 reduction of the (+) and (-) 3-bromocamphor-8-sulfonic acid salts of 1-oxoindolizidine followed by separation of the resulting diastereomeric alcohols by ion-exchange chromatography.

  通过NaBH 4还原1-氧代吲哚并啶的（+）和（-）3-溴樟脑8-磺酸盐，然后分离N通过离子交换色谱法得到非对映体醇。
• PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST
  申请人：Napolitano Elio

  公开号：US20090292129A1

  公开（公告）日：2009-11-26

  A process for resolving a compound in racemic form comprising the following steps is described: a) reacting a compound in racemic form with a resolving agent, b) forming a diastereoisomeric complex of the resolving agent and an enantiomer of interest, c) separating the enantiomer of interest from the obtained diastereoisomer, wherein such a process is characterized in that said resolving agent is a compound of Formula (I). A diastereoisomeric complex between the resolving agent of Formula (I) and the enantiomer of interest is also described. The process according to the invention allows acid and basic racemic mixtures to be separated.

  本发明提供了一种用于分离外消旋化合物的方法，包括以下步骤：a）将外消旋化合物与分离剂反应，b）形成分离剂和所需对映体的非对映异构体复合物，c）从所得的非对映异构体中分离所需对映体。其中，所述分离剂为式（I）的化合物。本发明还描述了分离剂式（I）与所需对映体之间的非对映异构体复合物。本发明所述方法可以分离酸性和碱性外消旋混合物。
• Production of 0,0'-diacyltartaric acid crystals
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0924188A1

  公开（公告）日：1999-06-23

  Crystals of an aromatic 0,0'-diacyltartaric acid of the formula (VIII): wherein R2 and R3 are the same as or different from one another and each is a hydrogen atom, halogen atom or C1 - C4 alkyl group are sufficiently uniform in size that 95% to 98% of them pass through a 20-mesh sieve. Such crystals may be prepared by hydrolyzing an aromatic carboxylic anhydride of the formula (IV): wherein R2 and R3 are as defined above, to form the corresponding acid (VIII) in the form of an oil and crystallizing the acid in the presence of an organic solvent which is immiscible with water to form crystals of the hydrate of the acid (VIII). For the crystallization process, each of the organic solvent immiscible with water and seed crystals of the acid (VIII) are added to the oil of the acid (VIII) present in the reaction mixture.

  式（VIII）的芳香族 0,0'-二酰酒石酸晶体： 其中 R2 和 R3 彼此相同或不同，且各自为氢原子、卤素原子或 C1 - C4 烷基，其大小足够均匀，95%-98% 的晶体可通过 20 目筛。这种晶体可以通过水解式（IV）的芳香族羧酸酐来制备： 其中 R2 和 R3 如上定义，形成油状的相应酸 (VIII)，并在与水不溶的有机溶剂存在下使酸结晶，形成酸 (VIII) 的水合物晶体。在结晶过程中，将不溶于水的有机溶剂和酸 (VIII) 的种子晶体分别加入反应混合物中存在的酸 (VIII) 油中。
• Zetzsche; Hubacher, Helvetica Chimica Acta, 1926, vol. 9, p. 293
  作者：Zetzsche、Hubacher

  DOI：——

  日期：——
• Vallee, Annales de Chimie (Cachan, France), 1908, vol. <8> 15, p. 378
  作者：Vallee

  DOI：——

  日期：——