N,N-二甲基甲酰胺二环己基缩醛 | 2016-05-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 原羧酸衍生物
• 中文名称: N,N-二甲基甲酰胺二环己基缩醛
• 中文别名: DMF-DCHA
• 英文名称: Dimethylformamid-dicyclohexylacetal
• 英文别名: N,N-Dimethylformamide dicyclohexyl acetal；1,1-dicyclohexyloxy-N,N-dimethylmethanamine
• CAS: 2016-05-9
• 化学式: C₁₅H₂₉NO₂
• 分子量: 255.401
• InChiKey: GCCBITPXNLHRFH-UHFFFAOYSA-N

物化性质

• 沸点：
  115-116 °C0.75 mm Hg(lit.)
• 密度：
  0.958 g/mL at 25 °C(lit.)
• 闪点：
  195 °F
• 稳定性/保质期：
  常温常压下稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2922199090
• 安全说明：
  S24/25

SDS

Name:	N N-Dimethylformamide dicyclohexyl acetal 99% Material Safety Data Sheet
Synonym:	1,1-Dicyclohexyloxytrimethylamin
CAS:	2016-05-9

Section 1 - Chemical Product MSDS Name:N N-Dimethylformamide dicyclohexyl acetal 99% Material Safety Data Sheet
Synonym:1,1-Dicyclohexyloxytrimethylamin

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2016-05-9	N,N-Dimethylformamide dicyclohexyl ace	99	217-947-2

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.The toxicological properties of this material have not been fully investigated.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
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.
Chronic:
No information found.

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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. Immediately 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:
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. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Do NOT get water inside containers.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed.
Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not allow contact with water. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep from contact with moist air and steam.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 2016-05-9: 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: Liquid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 115 - 116 deg C @ .75mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 90 deg C ( 194.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9580g/cm3
Molecular Formula: C15H29NO2
Molecular Weight: 255.40

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, strong oxidizing agents, acids.
Hazardous Decomposition Products:
Nitrogen oxides, 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# 2016-05-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N,N-Dimethylformamide dicyclohexyl acetal - 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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2016-05-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2016-05-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2016-05-9 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：

  N,N-二甲基甲酰胺二环己基缩醛 在 亚磷酸三乙酯 、 碘甲烷 作用下， 以 乙醚 为溶剂， 生成 tricyclohexyl orthoformate
  参考文献：
  名称：

  Costisella,B.; Gross,H., Journal fur praktische Chemie (Leipzig 1954), 1977, vol. 319, p. 8 - 16

  摘要：

  DOI：
• 作为产物：
  描述：

  (bis-ethylsulfanyl-methyl)-dimethyl-amine 、 环己醇 生成 N,N-二甲基甲酰胺二环己基缩醛
  参考文献：
  名称：

  Synthesis and reactions of amide mercaptals

  摘要：

  DOI：

  10.1007/bf00846003

文献信息

• [EN] PROCESSES FOR PREPARING SUBSTITUTED N-ARYL-N'-[3-(1H-PYRAZOL-5-YL) PHENYL] UREAS AND INTERMEDIATES THEREOF<br/>[FR] METHODES DE PREPARATION DE N-ARYL-N'-[3-(1H-PYRAZOL-5-YL) PHENYLUREES] SUBSTITUEES ET LEURS INTERMEDIAIRES
  申请人：ARENA PHARM INC

  公开号：WO2005103011A1

  公开（公告）日：2005-11-03

  The present invention is directed to processes for the preparation of substituted phenylpyrazole ureas of Formula (I), that are useful as 5-HT2A serotonin receptor modulators for the treatment of disease.

  本发明涉及制备Formula (I)中取代苯基吡唑脲的方法，该方法可用作治疗疾病的5-HT2A 5-羟色胺受体调节剂。
• Aryl and heteroaryl[7-(aryl and
  申请人：American Cyanamid Company

  公开号：US04521422A1

  公开（公告）日：1985-06-04

  Aryl and heteroaryl[7-(aryl and heteroaryl)pyrazolo[1,5-a]pyrimidin-3-yl]methanones which are new compounds active as anxiolytic, anticonvulsant, sedative-hypnotic and skeletal muscle relaxant agents in mammals and the novel process of making these compounds.

  芳基和杂环芳基[7-(芳基和杂环芳基)吡唑并[1,5-a]嘧啶-3-基]甲酮是新的化合物，对哺乳动物具有抗焦虑、抗抽搐、镇静催眠和骨骼肌松弛作用，并提供了制备这些化合物的新方法。
• Fused heterocyclic derivatives, their production and use
  申请人：——

  公开号：US20030158245A1

  公开（公告）日：2003-08-21

  There is disclosed novel fused thiophene derivatives as prophylactic and therapeutic drugs for bone or articular diseases, industrially advantageous processes for production thereof, and novel production intermediates. Said fused thiophene derivatives are represented by the general formula (I): 1 wherein R 1 is an optionally substituted hydrocarbon, heterocyclic, sulfinyl, sulfonyl, hydroxyl, thiol or amino group,; R 2 is cyano, formyl, thioformyl, etc.; ring A is any of 2 (wherein R 3 is hydrogen or an optionally substituted hydrocarbon, heterocyclic, hydroxyl, amino, sulfonyl or acyl; R 14 is hydrogen, halogen, optionally subsituted hydrocarbon group, optionally subsituted heterocyclic group etc.; and ring B represents an optionally substituted 5- to 7-membered hydrocarbon ring.

  披露了一种新型的融合噻吩衍生物，作为用于骨骼或关节疾病的预防和治疗药物，以及用于其生产的工业优势工艺和新型生产中间体。所述融合噻吩衍生物由通式(I)表示：其中R1是可选择地取代的碳氢化合物、杂环、砜基、磺酰基、羟基、硫醇或氨基；R2是氰基、甲酰基、硫代甲酰基等；环A是其中R3是氢或可选择地取代的碳氢化合物、杂环、羟基、氨基、磺酰基或酰基；R14是氢、卤素、可选择地取代的碳氢基团、可选择地取代的杂环基团等；环B代表可选择地取代的5至7成员碳氢环。
• Reaction of pentacarbonyl(alkoxyalkylcarbene)chromium complexes with N,N-dimethylformamide dialkyl acetals: synthesis of pentacarbonyl-(alkoxyenaminocarbene) and -(dialkoxycarbene)chromium complexes
  作者：Luciano Lattuada、Emanuela Licandro、Antonio Papagni、Stefano Maiorana、Angiola Chiesi Villa、Carlo Guastini

  DOI：10.1039/c39880001092

  日期：——

  On treatment of the carbene complexes (1a–f) with N,N-dimethylformamide dialkyl acetals (DMF-DAA)(2a–d) as electrophiles, the nature of the products, (3) or (4), depends on the structure of the starting carbene complexes.

  在用N，N-二甲基甲酰胺二烷基乙缩醛（DMF-DAA）（2a–d）作为亲电子体处理卡宾配合物（1a–f）时，产物（3）或（4）的性质取决于结构起始卡宾配合物。
• Process for producing phospholipid-containing drug
  申请人：——

  公开号：US20030185878A1

  公开（公告）日：2003-10-02

  The present invention provides a pharmaceutical preparation which is safe, little irritate subjects and comprises a water-insoluble or hardly water-soluble drug at a high level, and a simple and convenient process for producing the preparation. A process for producing a pharmaceutical composition comprising a water-insoluble or hardly water-soluble drug coated with phospholipid, said process comprising mixing a solution containing the water-insoluble or hardly water-soluble drug and phospholipid in an organic solvent with an aqueous solvent, emulsifying the resultant mixture and removing the organic solvent from the emulsion thus obtained to form a phospholipid coating film on the surface of the water-insoluble or hardly water-soluble drug.

  本发明提供了一种制药制剂，该制剂安全、对受试者刺激小，并且包含高水平的难溶于水或几乎不溶于水的药物，以及一种简单方便的制备过程。一种制备含有磷脂质包被的难溶于水或几乎不溶于水的药物的制药组合物的方法，该方法包括将含有难溶于水或几乎不溶于水的药物和磷脂质的溶液与有机溶剂混合后与水溶液乳化，然后从所得乳液中去除有机溶剂，以在难溶于水或几乎不溶于水的药物表面形成磷脂质包被膜。

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