1,1,2,2-四甲氧基环己烷 | 163125-34-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 环羧酸
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,1,2,2-四甲氧基环己烷
• 中文别名: 1,1,2,2-四甲氧基环己胺
• 英文名称: 1,1,2,2-tetramethoxycyclohexane
• CAS: 163125-34-6
• 化学式: C₁₀H₂₀O₄
• mdl: MFCD00798587
• 分子量: 204.266
• InChiKey: ZGERRGRQKXRTKD-UHFFFAOYSA-N

物化性质

• 沸点：
  54°C 0,4mm
• 密度：
  1.064
• 闪点：
  54°C/0.4mm
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S37/39
• 危险类别码：
  R20/21/22
• 储存条件：
  保存方法：存放在密闭、阴凉、干燥的地方。

SDS

Name:	1 1 2 2-Tetramethoxycyclohexane 90% Material Safety Data Sheet
Synonym:
CAS:	163125-34-6

Section 1 - Chemical Product MSDS Name:1 1 2 2-Tetramethoxycyclohexane 90% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
163125-34-6	1,1,2,2-Tetramethoxycyclohexane	90%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Cancer suspect agent.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. 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.
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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 163125-34-6: Personal Protective Equipment Eyes: Not available.
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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C10H20O4
Molecular Weight: 204.1376

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Light.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 163125-34-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,1,2,2-Tetramethoxycyclohexane - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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.
WGK (Water Danger/Protection)
CAS# 163125-34-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 163125-34-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 163125-34-6 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：

  1,1,2,2-四甲氧基环己烷 在 三氟甲磺酸三甲基硅酯 、 4 A molecular sieve 、 D(+)-10-樟脑磺酸 、 对甲苯磺酸 、 原甲酸三甲酯 作用下， 以 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 49.0h， 生成 2-azido-3,4,6-tri-O-benzyl-2-deoxy-D-glucopyranosyl-β(1->6)-4,5-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1,2-O-isopropylidene-3-O-methyl-D-chiro-inositol
  参考文献：
  名称：

  Synthesis and Structure of 1-D-6-O-(2-Amino-2-deoxy-α- and -β-D-gluco- and -galactopyranosyl)-3-O-methyl-D-chiro-inositol

  摘要：

  A convenient preparative synthesis of 1-D-6-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-3-O-methyl-chiro-inositol), 1-D-6-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-3-O-methyl- chiro-inositol (1b), I-D-6-O-(2-amino-2-deoxy-alpha-D-galactopyranosyl)-3-O-methyl-chiro-inositol (IIb), and 1-D-6-O-(2-amino-2-deoxy-beta-D-galactopyranosyl)-3-O-methyl-chiro-ino- sitol (IIb) from 3-O-methyl-D-chiro-inositol (pinitol) as starting material is reported. These compounds contain some of the basic structural motifs proposed for insulin mediators, The three-dimensional structures of these compounds have been determined by NMR spectroscopy and molecular dynamics simulations.

  DOI：

  10.1002/1099-0690(200203)2002:5<889::aid-ejoc889>3.0.co;2-3
• 作为产物：
  描述：

  甲醇 、 1,2-环己二酮 在 硫酸 、 原甲酸三甲酯 作用下， 反应 5.0h， 以88%的产率得到1,1,2,2-四甲氧基环己烷
  参考文献：
  名称：

  Synthesis of Bridged Head Methyl 3,4-O-(1',2'-Dimethylcycloheaxane-1',2'-diyl)-6,7-dideoxy-a-D-mannooct-6-enepyranose-8,2-lactone from D-Mannose

  摘要：

  DOI：

  10.3987/com-99-8724

文献信息

• Preparation of 2-deoxy-2-C-p-tolylsulfonyl-β-d-glucopyranosyl p-tolyl sulfones having non-chair conformation and their elimination reactions
  作者：Tohru Sakakibara、Tomomi Suganuma、Yasuhiro Kajihara

  DOI：10.1039/b707802a

  日期：——

  When the title sulfones, which have non-chair conformations, were stirred with silica gel, elimination of sulfinic acid occurred to give a 1-enitol derivative, if the hydroxyl group at C-6 was protected, whereas such an elimination did not proceed if the hydroxy group was free.

  当将具有非椅子构型的标题砜与硅胶一起搅拌时，如果保护了C-6的羟基，则亚硫酸的消除会生成1-烯醇衍生物，而如果没有，则这种消除不会进行羟基是游离的。
• Dehydration of Quinate Derivatives: Synthesis of a Difluoromethylene Homologue of Shikimic Acid
  作者：Julian M. Box、Laurence M. Harwood、Jane L. Humphreys、Gareth A. Morris、Perrine M. Redon、Roger C. Whitehead

  DOI：10.1055/s-2002-19772

  日期：——

  An optimised procedure for the conversion of a quinate to shikimate structure has been developed using Martin"s Sulfurane Ph2S[OC(CF3)2Ph]2}. This protocol has been exploited in the synthesis of a novel difluoromethylene homologue of shikimic acid.

  我们利用马丁硫醚 Ph2S[OC(CF3)2Ph]2} 开发出了一种将醌酯结构转化为莽草酸结构的优化程序。在合成莽草酸的新型二氟亚甲基同系物时利用了这一程序。
• Synthesis and enzymatic evaluation of five-membered iminocyclitols and a pseudodisaccharide
  作者：Chikako Saotome、Yoshimi Kanie、Osamu Kanie、Chi-Huey Wong

  DOI：10.1016/s0968-0896(00)00170-x

  日期：2000.9

  Described here are the synthesis of five-membered iminocyclitols with galacto-configuration and a pseudodisaccharide, and their inhibitory activities against beta-galactosyltransferase, beta-galactosidase and alpha-mannosidase.

  这里描述的是具有半乳糖构型和假二糖的五元亚氨基环糖醇的合成及其对β-半乳糖基转移酶，β-半乳糖苷酶和α-甘露糖苷酶的抑制活性。
• A Practical Synthesis of Enantiopure (R)-4-Hydroxy-2-cyclohexen-1-one
  作者：Olaf Gebauer、Reinhard Brückner

  DOI：10.1002/jlac.199619961010

  日期：1996.10

  The title compound R-4a was prepared from (–)-quinic acid (1) in 6 steps in 18% overall yield (Scheme 3) and with 100% enantiomeric purity (Figure 1). The initiating step is the regio- and stereoselective acetalization of the trans-oriented vicinal OH groups of 1 (+ 5 8). Alcohol R-4a can be protected as the 2-ethoxyethyl ether R-4e (78%).

  标题化合物R - 4a由（-）-奎尼酸（1）分6步制备，总收率为18％（方案3），对映体纯度为100％（图1）。起始步骤是反式邻位OH基团为1（+ 5 8）的区域和立体选择性缩醛化。可以将醇R - 4a保护为2-乙氧基乙基醚R - 4e（78％）。
• PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USE THEREOF
  申请人：Tianjin Institute Of Pharmaceutical Research

  公开号：EP2933250A1

  公开（公告）日：2015-10-21

  The present invention provides a phenyl C-glucoside derivative containing a deoxyglucose structure as represented by formula I, preparation method thereof, a pharmaceutical composition comprising the same, and uses thereof in the preparation of medicaments for treating diabetes, wherein substituents R1-R7 are as defined in the specification. The present invention also provides a method for synthesizing the phenyl C-glucoside derivative containing a deoxyglucose structure and an intermediate product. The method has advantages of being simple to manage and of low cost, which is suitable for large-scale industrial production. The present invention further provides a cocrystal of (1S)-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1,6-dideoxy-D-glucose and L-proline, and preparation method and uses thereof.

  本发明提供一种含有脱氧葡萄糖结构的苯基C-葡萄糖苷衍生物，其表示为式I，其制备方法，包含其的制药组合物以及在制备治疗糖尿病药物方面的用途，其中取代基R1-R7如规范中所定义。本发明还提供一种合成含有脱氧葡萄糖结构的苯基C-葡萄糖苷衍生物和中间产物的方法。该方法具有管理简单和低成本的优点，适用于大规模工业生产。本发明还提供了（1S）-1-[4-氯-3-(4-乙氧基苯基)苯基]-1,6-二脱氧-D-葡萄糖和L-脯氨酸的共晶体，其制备方法和用途。

表征谱图