3-[(4S)-2,2-二甲基-1,3-二氧戊烷-4-基]-丙醇 | 51268-87-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-[(4S)-2,2-二甲基-1,3-二氧戊烷-4-基]-丙醇
• 中文别名: 3-[(4S)-2,2-二甲基-1,3-二氧杂戊环]-丙醇
• 英文名称: (4S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-ol
• 英文别名: (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-ol；(S)-3-(2,2-dimethyl[1,3]dioxolan-4-yl)propan-1-ol；(S)-(+)-1,2,5-trihydroxy pentane 1,2-acetonide；(2S)-1,2-O-isopropylidenepentane-1,2,5-triol；(2S)-1,2-(isopropylidenedioxy)-5-pentanol；(S)-(-)-3-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-propan-1-ol；3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
• CAS: 51268-87-2
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: BSLDYXOPGSOQGZ-ZETCQYMHSA-N

物化性质

• 沸点：
  90 °C (10 mmHg)
• 密度：
  1.0227 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37
• 海关编码：
  2932999099
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	3-[(4S)-2 2-dimethyl-1 3-dioxolan-4-yl]-propanol 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	51268-87-2

Section 1 - Chemical Product MSDS Name:3-[(4S)-2 2-dimethyl-1 3-dioxolan-4-yl]-propanol 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51268-87-2	3-[(4S)-2,2-Dimethyl-1,3-Dioxolan-4-yl	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Irritating to eyes 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.
Inhalation:
May cause respiratory tract irritation. 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 foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood. 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# 51268-87-2: 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: Viscous liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 90 deg C @ 10 mmHg
Freezing/Melting Point: Not available.
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: C8H16O3
Molecular Weight: 160.1102

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, light, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents, acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51268-87-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-[(4S)-2,2-Dimethyl-1,3-Dioxolan-4-yl]-Propanol - 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.
R 36/38 Irritating to eyes 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# 51268-87-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51268-87-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51268-87-2 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：

  3-[(4S)-2,2-二甲基-1,3-二氧戊烷-4-基]-丙醇 在 potassium bromide 4-(polystyrylMeO)-2,2,6,6-tetraMepiperidin-1-yloxy radical 、 PS-CH₂Me₃(+)*ClO₂(-) 、 PS-CH₂NMe₃(+)*H₂PO₄(-) 作用下， 以 水 、 乙腈 为溶剂， 反应 36.0h， 以76%的产率得到3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
  参考文献：
  名称：

  The simultaneous use of immobilised reagents for the one-pot conversion of alcohols to carboxylic acids

  摘要：

  在单个反应容器中同时使用选定的固定氧化试剂，是将伯醇转化为相应羧酸的有效方法。

  DOI：

  10.1039/b201776h
• 作为产物：
  描述：

  1,3-Dioxolane-4-propanamide, N,N,2,2-tetramethyl-, (S)- 在 六甲基磷酰三胺 作用下， 以 乙醚 、 叔丁醇 为溶剂， 反应 48.0h， 以60%的产率得到3-[(4S)-2,2-二甲基-1,3-二氧戊烷-4-基]-丙醇
  参考文献：
  名称：

  5-十六醇化物对映体合成，信息素为“ Vespa Orientalis”

  摘要：

  拟定了一个合成方案，由（L）-谷氨酸分8步制备（R）（+）δ-n-六-癸癸内酯10。

  DOI：

  10.1016/s0040-4020(01)91246-3

文献信息

• Total Synthesis of Nonenolide
  作者：Harshadas Mitaram Meshram、Dachepally Aravind Kumar、Palakuri Ramesh

  DOI：10.1002/hlca.200900410

  日期：——

  A novel synthetic route has been reported for the synthesis of nonenolide. The syntheses of fragments were initiated from commercially available and inexpensive starting materials. The synthesis involves key steps like Sharpless epoxidation, Jacobsen's resolution, lactonization, and cross‐metathesis.

  已经报道了用于合成壬烯内酯的新的合成途径。片段的合成从可商购且廉价的起始原料开始。合成涉及关键步骤，如Sharpless环氧化，Jacobsen的拆分，内酯化和交叉复分解。
• [EN] PEGYLATED LIPIDS AND THEIR USE FOR DRUG DELIVERY<br/>[FR] LIPIDES PÉGYLÉS ET LEUR UTILISATION POUR UNE ADMINISTRATION DE MÉDICAMENT
  申请人：ALNYLAM PHARMACEUTICALS INC

  公开号：WO2012099755A1

  公开（公告）日：2012-07-26

  The invention provides poly(ethylene glycol)-lipid conjugates for use in drug delivery.

  这项发明提供了用于药物传递的聚乙二醇-脂质共轭物。
• Stereoselective Synthesis of (+)-SCH 351448:  A Unique Ligand System for Sodium, Calcium, and Other Cations
  作者：Eun Joo Kang、Eun Jin Cho、Mi Kyung Ji、Young Eun Lee、Dong Mok Shin、Soo Young Choi、Young Keun Chung、Jong-Seo Kim、Hie-Joon Kim、Sueg-Geun Lee、Myoung Soo Lah、Eun Lee

  DOI：10.1021/jo0507993

  日期：2005.8.1

  (+)-SCH 351448 (Na+ salt A) was synthesized employing ring-closing olefin metathesis reaction of an open diene diester intermediate for construction of the 28-membered macrodiolide structure. The open diene diester was prepared from the monomeric hydroxy carboxylic acid and two different olefin fragments. The monomeric hydroxy acid was synthesized via Julia-Julia coupling reaction of intermediates derived from the same olefinic fragments. Oxane units in these fragments were prepared by radical cyclization reactions of beta-alkoxyacrylates. Analogous SCH 351448 salts incorporating other mono- and divalent cations may be prepared. Under acidic conditions, SCH 351448 (Na+ salt A) was the most stable complex, but SCH 351448 (Ca2+ salt) and (Na+ salt B) appear to be physiologically important species.

  (+)−SCH 351448(钠盐A)是通过环闭烯烃复分解反应，利用一种开放性二烯二酯中间体构建28元大环二酯结构而合成的。该开放性二烯二酯是通过单体羟基羧酸和两种不同的烯烃片段制备的。单体羟基酸是通过Julia–Julia偶联反应，由同一烯烃片段衍生的中间体合成的。这些片段中的环氧丙烷单元是通过β−烷氧基丙烯酸酯的自由基环化反应制备的。类似地，SCH 351448盐中还可以引入其他单价和二价阳离子。在酸性条件下，SCH 351448(钠盐A)是最稳定的复合物，但SCH 351448(钙盐)和(钠盐B)似乎是有生理意义的物种。
• The first construction of the B,C,D-ring fragment of pinnatoxins via highly stereocontrolled acetallization
  作者：Tetsuya Sugimoto、Jun Ishihara、Akio Murai

  DOI：10.1016/s0040-4039(97)01725-5

  日期：1997.10

  The synthesis of the B,C,D-ring fragment of pinnatoxins is described. The highly stereocontrolled construction of the 6,5,6-tris-spiroacetal core was achieved on treatment of compound 3 with aqueous HF in CH3CN. The anomeric effect at C16 enhanced by neighboring carbonyl group led to form the tris-spiroacetal having the natural configuration.

  描述了pinnatoxins的B，C，D环片段的合成。在CH 3 CN中用HF水溶液处理化合物3时，实现了6,5,6-三-螺缩醛缩醛核心的高度立体控制结构。在C 16处的异头作用被相邻的羰基增强，导致形成具有自然构型的三螺缩醛。
• Reductive Spiroannulation of Nitriles with Secondary Electrophiles
  作者：Matthew D. Morin、Scott D. Rychnovsky

  DOI：10.1021/ol050567q

  日期：2005.5.1

  The scope of reductive decyanation and spiroannulation reactions has been expanded to include secondary electrophiles for potentially useful transformations. Secondary phosphates and chlorides, as well as terminal epoxides, cyclize in a stereospecific fashion. Both endo and exo modes of cyclization were observed with terminal epoxides.

  还原性脱氰和螺环化反应的范围已扩大到包括潜在的有用转化的仲亲电试剂。仲磷酸盐和氯化物，以及末端环氧化物以立体特异性方式环化。末端环氧化物均观察到内环和外环的环化模式。