2,3:5,6-二-O-环亚己基-Alpha-D-甘露糖 | 61489-23-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,3:5,6-二-O-环亚己基-Alpha-D-甘露糖
• 中文别名: 2,3:5,6-二-O-环亚己基-α-D-甘露糖
• 英文名称: 2,3:5,6-di-O-cyclohexylidene-D-manno-furanose
• 英文别名: (3aS,4S,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol
• CAS: 61489-23-4
• 化学式: C₁₈H₂₈O₆
• 分子量: 340.417
• InChiKey: DBZINKYMMNBMIR-OWYFMNJBSA-N

物化性质

• 熔点：
  120-124 °C
• 沸点：
  436.21°C (rough estimate)
• 密度：
  1.1440 (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)：
  2
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66.4
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 安全说明：
  S24/25
• 储存条件：
  请将密封存储在阴凉干燥的环境中。

SDS

Name:	2 3:5 6-Di-O-Cyclohexylidene-Alpha-D-Manno Furanose 98% Material Safety Data Sheet
Synonym:	None known
CAS:	61489-23-4

Section 1 - Chemical Product MSDS Name:2 3:5 6-Di-O-Cyclohexylidene-Alpha-D-Manno Furanose 98% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
61489-23-4	2,3:5,6-Di-O-Cyclohexylidene-Alpha-D-M	98	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: 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.
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.
Notes to Physician:

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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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 61489-23-4: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 120.00 - 123.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H28O6
Molecular Weight: 340.41

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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, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 61489-23-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3:5,6-Di-O-Cyclohexylidene-Alpha-D-Manno Furanose - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 61489-23-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61489-23-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61489-23-4 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：

  2,3:5,6-二-O-环亚己基-Alpha-D-甘露糖 在 戴斯-马丁氧化剂 、 叔丁醇 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到O²,O³;O⁵,O⁶-dicyclohexylidene-D-mannonic acid-lactone
  参考文献：
  名称：

  Csuk, Rene; Doerr, Petra, Journal of Carbohydrate Chemistry, 1995, vol. 14, # 1, p. 35 - 44

  摘要：

  DOI：
• 作为产物：
  描述：

  4-O-acetyl-2,3:5,6-di-O-cyclohexylidene-aldehydo-D-mannose 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 2,3:5,6-二-O-环亚己基-Alpha-D-甘露糖
  参考文献：
  名称：

  Chloroglycidate Synthesis of a Precursor of Natural 3-Deoxy-D-manno-octulosonic Acid with Combined Protective Groups

  摘要：

  A new oxo form of D-mannose with cyclohexylidene and benzyl protective groups is synthesized with the aim of adapting the chloroglycidate synthesis for natural 3-deoxy-D-manno-octulosonic acid. The sites of fixation of the protective groups were established by converting a model compound, 4-O-acetyl-2,3: 5,6-di-O-cyclohexylidene-aldehydO-D-mannose, into a known dicyclohexylidene-D-manno-furanose. The oxo form was reacted with methyl dichloroacetate to obtain a stereoisomeric mixture of chloroglycidates which were transformed into the corresponding pyruvate. The ketone and enol forms of the latter compound were isolated and separately characterized.

  DOI：

  10.1023/b:rugc.0000025507.24993.c6

文献信息

• Glycosylsulfenyl- und (Glycosylthio)sulfenyl-halogenide (Halogeno- bzw. Halogenothio-(1-thioglycoside)): Herstellung und Umsetzung mit Alkenen
  作者：Marianne Hürzeler、Bruno Bernet、Andrea Vasella

  DOI：10.1002/hlca.19920750215

  日期：1992.3.18

  Glycosylsulfenyl snf (Glycosylthio) sulfenyl Halides (Halogeno and Halogenothio 1-Thioglycosides, Resp.): Preparation and Reaction with Alkenes

  糖基硫基snf（糖基硫基）亚硫基卤化物（卤代和卤代硫代1-硫代糖苷，分别）：制备及与烯烃的反应
• Process for the production of sugar ketals
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0076118A1

  公开（公告）日：1983-04-06

  A process is disclosed for production of a sugar ketal, which comprises reacting a sugar with a ketone in the presence of (A) (1) copper, or an oxide, hydroxide or salt thereof and (2) hydrogen chloride or hydrogen bromide, or (B) cupric chloride or cupric bromide, said catalyst system being very effective in a small amount. The formation of unfavorable by-products can be reduced to a trace amount. The process offers the objective ketal in improved yields, and an industrially advantageous process.

  本发明公开了一种生产糖缩酮的工艺，该工艺包括在(A)(1)铜或其氧化物、氢氧化物或其盐和(2)氯化氢或溴化氢或(B)氯化铜或溴化铜的存在下使糖与酮反应，所述催化剂体系在少量情况下非常有效。 不利副产物的形成可减少到微量。 该工艺提供了产量更高的目标缩酮，是一种具有工业优势的工艺。
• Process for production of sugar ketals
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0091223A1

  公开（公告）日：1983-10-12

  A process is disclosed for production of a sugar ketal, which comprises reacting a sugar with a ketone in the presence of hydrogen iodide. The formation of unfavorable by-products can be reduced to a trace amount. The process offers the objective ketal in improved yields, and an industrially advantageous process.

  本发明公开了一种生产缩酮糖的工艺，包括在碘化氢存在下使糖与酮发生反应。不利副产物的形成可减少到微量。该工艺可提高目标酮的产量，是一种具有工业优势的工艺。
• 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY
  申请人：Xiamen Sinopeg Biotech Co., Ltd.

  公开号：EP3315531A1

  公开（公告）日：2018-05-02

  Disclosed are an 8-arm polyethylene glycol (PEG) derivative (formula 1), manufacturing method and modified bio-related substance thereby, wherein a tetravalent group U and four trivalent groups Ec form a highly symmetric octavalent central structure CORE0 together, Lc connects the octavalent center to eight PEG arms having polydiversity or monodiversity and having n1-n8 as the degrees of polymerization thereof. The terminal of one PEG chain is connected to at least one functional group F (k ≥ 1), and said PEG chain and F can be directly connected (g = 0) or connected with a divalent linking group L0 connected with a terminal branched group G (g = 1) therebetween. The latter provides more reacting sites to combine more pharmaceutical molecules, thereby increasing the drug loading capacity. The near-center symmetric structure of the derivative allows more precise control over the molecular weight during large-scale production, thereby facilitating acquisition of a product having a narrower molecular weight distribution. A bio-related substance modified thereby has a more uniform and controllable performance.

  本发明公开了一种 8 臂聚乙二醇（PEG）衍生物（式 1）、其制造方法和改性生物相关物质，其中一个四价基团 U 和四个三价基团 Ec 共同形成一个高度对称的八价中心结构 CORE0，Lc 将八价中心连接到八个 PEG 臂上，这些 PEG 臂具有多元性或单元性，其聚合度为 n1-n8。一条 PEG 链的末端与至少一个官能团 F（k ≥ 1）相连，所述 PEG 链和 F 可以直接相连（g = 0），也可以通过二价连接基 L0 与中间的末端支化基 G（g = 1）相连。后者提供了更多的反应位点，可以结合更多的药物分子，从而提高药物负载能力。衍生物的近中心对称结构可以在大规模生产过程中更精确地控制分子量，从而有利于获得分子量分布更窄的产品。由此改性的生物相关物质具有更均匀、更可控的性能。
• Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof
  申请人：XIAMEN SINOPEG BIOTECH CO., LTD.

  公开号：US10434182B2

  公开（公告）日：2019-10-08

  Disclosed are an eight-arm polyethylene glycol (PEG) derivative (formula I), production method therefor and modified bio-related substance thereby. Wherein, one tetravalent group U together with four trivalent groups Ec form a highly symmetrical octavalent group CORE0; Lc connects the octavalent group to eight PEG chains having polydispersity or monodispersity and having n1 to n8 as the degree of polymerization thereof; the terminal of one PEG chain is connected to at least one functional group F (k≥1); said PEG chain and F therebetween can be directly connected (g=0) or be indirectly connected via a linking group L0 to a terminal end-branching group G (g=1); the latter provides more reactive sites for binding more drug molecules and increases the drug loading. The eight-arm polyethylene glycol derivative has a centrosymmetric or approximately centrosymmetric structure, and leads to more precise control of the molecular weight in large-scale production and much narrower distribution of molecular weight for products. The modified bio-related substance thereby has a more uniform and controllable performance.

  本发明公开了一种八臂聚乙二醇（PEG）衍生物（式 I）、其生产方法及其改性生物相关物质。其中，一个四价基团 U 与四个三价基团 Ec 形成一个高度对称的八价基团 CORE0；Lc 将八价基团连接到八条具有多分散性或单分散性且聚合度为 n1 至 n8 的 PEG 链上；一条 PEG 链的末端与至少一个官能团 F 连接（k≥1）；所述 PEG 链和 F 之间可以直接连接（g=0），也可以通过连接基团 L0 与末端支化基团 G 间接连接（g=1）；后者提供了更多的反应位点，可以结合更多的药物分子，增加药物负载量。八臂聚乙二醇衍生物具有中心对称或近似中心对称结构，因此在大规模生产中可以更精确地控制分子量，产品的分子量分布也更窄。因此，改性生物相关物质的性能更均匀、更可控。