Propofol 2,6-二异丙基苯酚

CAS 2078-54-8 MFCD00008885

化学结构图

2078-54-8
SMILES: CC(C)c1cccc(C(C)C)c1O

化学属性

Mol. FormulaC12 H18 O
Mol. Weight178.27
Refractive index1.5110 to 1.5170
Boiling Point256°C at 760 mmHg
Density0.962 g/mL at 25 °C(lit.)
Melting Point18°C
Flash Point113°C
TSCAYes
Vapor Pressure5.6 mmHg ( 100 °C)
Stability对空气敏感

别名和识别编码

Chemical NamePropofol
Synonym 2 6-DIISOPROPYLPHENOL 97+% 2,6 Diisopropylphenol 2,6-BIS(1-METHYLETHYL)PHENOL 2,6-Bis(1-methylethyl)phenol 2,6-Bis(1-methylethyl)phenol 2,6-二异丙基苯酚 普鲁泊福 2,6-Bis(isopropyl)phenol 2,6-DIISOPROPYLPHENOL 2,6-Diisopropylphenol Aquafol Diprivan Disoprivan Disoprofol Fresofol ICI 35,868 ICI 35868 ICI-35,868 ICI-35868 ICI35,868 ICI35868 Ivofol Propofol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number2078-54-8
PubChem Substance ID4943
EC Number218-206-6
MDL NumberMFCD00008885
Beilstein Registry Number6(1)272
Reaxys-RN1866484
Merck Number7834
Chemical Name Translation2,6-二异丙基苯酚
Wiswesser Line NotationQR BY1&1 FY1&1
LabNetwork Molecule IDLN00189334
InChIInChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
Canonical SMILESOC1=C(C(C)C)C=CC=C1C(C)C
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分类

  • {SNA} Bioactive Small Molecules, Building Blocks, C9 to C20+,
  • Bioactive Small Molecules, Building Blocks, C9 to C20+, Cell Biology, Chemical Synthesis, DIG-DY, Organic Building Blocks, Oxygen Compounds, Phenols
  • {Chemicalbook} 药物: 麻醉用药: 全身麻醉药
  • {SA} Bioactive Small Molecules, Building Blocks, C9 to C20+,
  • {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SNA} Alphabetical Listings, Bioactive Small Molecules, C-D, Cell Biology, DIG-DY, Flavors and Fragrances

产品应用

  • 该品是一种麻醉剂，也是麝香DDHI的中间体。

相关文献及参考

  • Merck:14,7834
  • Merck:14,7834 Beilstein:6(1)272
  • [1]. R Nadeson, et al. Antinociceptive Properties of Propofol: Involvement of Spinal Cord Gamma-Aminobutyric acid(A) Receptors. J Pharmacol Exp Ther . 1997 Sep;282(3):1181-6.

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSSL0810000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
UN Number 2810 3082
Packing GroupIII
Storage condition +4°C 0-6°C 2-8°C 4℃ 充氩保存 密封充氩避光保存
Hazard Class9 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 2857 ug/kg/1D-I
TOXIC EFFECTS :
   Behavioral - hallucinations, distorted perceptions
   Behavioral - rigidity (including catalepsy)
   Behavioral - irritability
REFERENCE :
   ANASAB Anaesthesia.  (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1
   7DX, UK)  V.1-    1946-  Volume(issue)/page/year: 43,170,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - analgesia
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 42 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YACHDS Yakuri to Chiryo.  Pharmacology and Therapeutics.  (Raifu Saiensu
   Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan)  V.1-    1972-
   Volume(issue)/page/year: 21,11,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPO

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 386 mg/kg/14D-I
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - pleural thickening
REFERENCE :
   CCMDC7 Critical Care Medicine.  (Williams & Wilkins, 428 E. Preston Street,
   Baltimore, MD 21202) V.1-    1973-  Volume(issue)/page/year: 23,1928,1995

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - woman
DOSE                    : 2800 ug/kg
SEX/DURATION            : female 39 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - Apgar score (human only)
   Reproductive - Effects on Newborn - other neonatal measures or effects
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   BJANAD British Journal of Anesthesia.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1923-  Volume(issue)/page/year:
   62,649,1989

其他信息

  • 方法二:由丙烯与苯酚经烷基化而得。在强烈搅拌并充入氮气的情况下，将4.5g铝屑加入565g预热到165℃的苯酚中，待放出氢气后即可停止反应。将此反应混合物装入高压釜内，通入丙烯，在240℃反应2h。在反应过程中将压力从1.37MPa渐渐增加到3.43MPa。反应毕，冷却，将釜内物料加至200ml5%的盐酸中，震荡。将混合物过滤，水洗。加甲苯通过恒沸蒸馏干燥产物，再经分馏得到656g产品，收率61%。
  • 用途二:短效静脉麻醉药，麻醉作用与硫喷妥钠相似，但作用要强约1.8倍。作用迅速，维持时间短。诱导效果好，作用平稳，无兴奋现象，又可通过静脉滴注或多次使用来控制麻醉深度，无显著蓄积，病人苏醒后头脑清楚，能迅速恢复。用于诱导麻醉和维持麻醉。
  • 图谱信息:丙泊酚(2078-54-8)红外图谱(IR1) 丙泊酚(2078-54-8)核磁图( 1 HNMR) 丙泊酚(2078-54-8)质谱(MS) 丙泊酚(2078-54-8)核磁图( 13 CNMR)
  • Acros Organics:2,6-二异丙基苯酚/丙泊酚 2,6-Diisopropylphenol, 99%(2078-54-8)
  • 下游产品:2-异丙基苯酚
  • MOL 文件:2078-54-8.mol
  • MSDS 信息:Propofol(2078-54-8).msds
  • 上游原料:异丁烯 --> 异丙醚 --> 阳离子树脂 --> 三苯基锑
  • 用途一:用作有机合成中间体，可用于合成新型多环麝香DDHI
  • 蒸气压:5.6 mm Hg ( 100 °C)
  • Sigma Aldrich:2078-54-8(sigmaaldrich)
  • Alfa Aesar:2,6-二异丙基苯酚,97% 2,6-Diisopropylphenol, 97%(2078-54-8)
  • 丙泊酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30322780 2，6-二异丙苯酚 25g 1573元 2011/04/16 D0617 2,6-二异丙基苯酚 2,6-Diisopropylphenol 500G 2520元 2011/04/16 D0617 2,6-二异丙基苯酚 2,6-Diisopropylphenol 25G 335元
  • 检测方法:GC,NMR
  • TCI Shanghai:2,6-二异丙基苯酚 2,6-Diisopropylphenol,>;98.0%(GC)(2078-54-8)
  • 方法一:方法1：用异丁烯为原料，在三苯氧基铝催化下，对苯酚进行烷基化反应，可得丙泊酚。 方法2：由邻异丙基苯基异丙基醚在卤化铝、三氧化二铝、含铝碱性阳离子树脂等催化下，于75-175℃加热，异构化为丙泊酚。
  • 用途三:该品是一种麻醉剂，也是麝香DDHI的中间体。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C9 to C20+ - Phenols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Protected Alcohols/Phenols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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