122111-01-7

• 常用中文名：2-脱氧-2,2-二氟戊呋喃糖-1-酮-3,5-二安息香酸盐
• 常用英文名：2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate
• CAS号：122111-01-7
• 分子式：C₁₉H₁₄F₂O₆
• 分子量：376.308
• 相关类别： 生物化工 糖类化合物 单糖
• 发布时间：2018-08-27 18:34:32
• 更新时间：2024-01-06 13:09:28
• 【用途一】
  2-脱氧-2,2-二氟戊呋喃糖-1-酮 3,5-二安息香酸盐
  【122111-01-7】
  是生产吉西他滨的中间体。

名称

• 中文名: 2-脱氧-2,2-二氟-D-赤型-戊糖酸-3,5-二苯甲酸-γ-内酯
• 英文名: 2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate
• 中文别名: 2-脱氧-2,2-二氟戊呋喃糖-1-酮3,5-二安息香酸盐; 2-脱氧-2,2-二氟-D-赤型-1-呋喃酮糖-3,5-二苯甲酰酯; 2-脱氧-2,2-二氟戊呋喃糖-1-酮3.5-二安息香酸盐; 核酮糖; 2-脱氧-2,2-二氟戊呋喃糖-1-酮-3,5-二安息香酸盐
• 英文别名: ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate; 2-Deoxyl-2,2-difluoro-D-erythro-pentofuranos-1-ulose-3,5-dibenzoate; 2-Deoxy-2,2-Difluoro-d-Erythro-Pentofuranos-1-Ulose-3,5-Dibenzoate; (2R,3R)-4,4-Difluor-5-oxo-2-{[(phenylcarbonyl)oxy]methyl}tetrahydrofuran-3-ylbenzolcarboxylat (non-preferred name); [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (non-preferred name); (2R,3R)-4,4-Difluoro-5-oxo-2-{[(phenylcarbonyl)oxy]methyl}tetrahydrofuran-3-yl benzoate (non-preferred name); [(2R,3R)-3-benzoyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl benzoate; [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl]methyl benzoate (non-preferred name); [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate; [(2R,3R)-3-(benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl]methyl benzoate; T5OVTJ CF CF DOVR& E1OVR &&D-Erythro Form; D-erythro-Pentonicacid, 2-deoxy-2,2-difluoro--lactone,3,5-dibenzoate; 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid g-lactone 3,5-dibenzoate; 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid γ-Lactone 3,5-dibenzoate; MFCD00209570

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 437.2±45.0 °C at 760 mmHg
• 熔点: 117-119ºC(lit.)
• 分子式: C₁₉H₁₄F₂O₆
• 分子量: 376.308
• 闪点: 210.5±23.6 °C
• 精确质量: 376.075836
• PSA: 78.90000
• LogP: 4.08
• 外观性状: 灰白色固体
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.571
• 储存条件: -20°C Freezer
• 水溶解性: 可溶于：二甲基甲酰胺

MSDS

2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone Revision number: 5 3,5-Dibenzoate SAFETY DATA SHEET Section1. IDENTIFICATION 2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate Product name: Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification Not classified PHYSICAL HAZARDS HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statements Precautionary statements:None Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate Percent:>98.0%(LC) CAS Number:122111-01-7 Chemical Formula:C19H14F2O6 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Lactone 3,5-Dibenzoate Section5. FIRE-FIGHTING MEASURES Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. When extinguishing fire, be sure to wear personal protective equipment. Special protective equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a freezer. Store away from incompatible materials such as oxidizing agents. Heat-sensitive Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder Colour:White - Almost white Odour:No data available pH: No data available Melting point/freezing point:123°C Boiling point/range:No data available Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available No data available Relative density: Solubility(ies): [Water]No data available [Other solvents] Soluble:Dimethylformamide(DMF) Lactone 3,5-Dibenzoate Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil Log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Lactone 3,5-Dibenzoate SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): F+
• WGK德国: 3
• 海关编码: 2934999090

合成路线

110-86-1 98-88-4 95058-77-8 ~% 628-13-7 详细

文献：US2007/191598 A1, ; Page/Page column 13 ;

98-88-4 928797-50-6 ~% 122111-01-7

文献：WO2007/49295 A2, ; Page/Page column 13; 15-16 ;

114420-06-3 98-88-4 ~% 122111-01-7

文献：WO2005/95430 A1, ; Page/Page column 16 ;

上下游产品

上游产品  5
110-86-1 98-88-4 95058-77-8 928797-50-6
114420-06-3
下游产品  4
134877-42-2 134790-40-2 134790-39-9 1173824-58-2

海关

海关编码	2932190090
中文概述	2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%