2-adamantanone 金刚烷酮

CAS 700-58-3 MFCD00074737

化学结构图

700-58-3
SMILES: O=C1C2CC3CC(C2)CC1C3

化学属性

Mol. FormulaC10H14O
Mol. Weight150.22
Melting Point256-258°C
Density1.105
TSCANo
Solubilitymethanol: 0.1 g/mL, clear
Boiling Point211.78 °C at 760 mmHg

别名和识别编码

Chemical Name2-adamantanone
CAS Number700-58-3
Alfabeta NameADAMANTANONE 2-
MDL NumberMFCD00074737
PubChem Substance ID64151
Beilstein Registry Number1210235
EC Number211-847-2
Reaxys-RN1210235
Synonym Adamantanone {LY} Adamantanone {} {LY} Adamantanone {} {} {LY} Adamantanone {} {} {} {LY} Adamantanone {} {} {} {} {LY} Adamantanone {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Adamantanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation金刚烷酮
Wiswesser Line NotationL66 B6/B-H/DI A B- C 1B I AVTJ
LabNetwork Molecule IDLN00175135
InChIInChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
Canonical SMILESO=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
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分类

  • {SA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; fused rings; 6ring; 8ring; ketone; 1fragment
  • Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • It was used in the synthesis of dispiro N-Boc-protected 1,2,4-trioxane and (+/-)-1-(adamantan-2-yl)-2-propanamine.

相关文献及参考

  • Preparation of highly-substituted alkenes by the Wittig reaction gives poor yields with adamantanone. The route involving addition of a Grignard or alkyllithium reagent is to be preferred: J. Org. Chem., 54, 1375 (1989).
  • Short: III/35E
  • Reductive coupling (TiCl3/Li) gives (adamantylidene)adamantane, an example of a general method for the synthesis of highly-substituted alkenes: Org. Synth. Coll., 7, 1 (1990).
  • Short: II/14a

安全信息

Warnings IRRITANT
WGK Germany2
RTECSAU5018000
Personal Protective Equipment Eyeshields, Gloves
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
Risk Statements
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H402 Harmfultoaquaticlife 对水生生物有害。
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 780 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 10,454,1976

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 用途一:用于合成医药中间体感光材料及信息技术领域。
  • 海关编码:29142900
  • MSDS 信息:2-Adamantanone(700-58-3).msds
  • TCI Shanghai:2-金刚烷酮 2-Adamantanone,>;98.0%(GC)(700-58-3)
  • MOL 文件:700-58-3.mol
  • Sigma Aldrich:700-58-3(sigmaaldrich)
  • Hazard Note:Irritant
  • 金刚烷酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010405 2-金刚烷酮 25g 156元 2011/04/16 A0719 2-金刚烷酮 2-Adamantanone 100G 3880元 2011/04/16 A0719 2-金刚烷酮 2-Adamantanone 25G 1150元
  • 下游产品:2-乙基-2-金刚烷醇 --> 2-甲基-2-金刚烷醇
  • Acros Organics:2-金刚烷酮 2-Adamantanone, 98%(700-58-3)
  • 图谱信息:金刚烷酮(700-58-3)红外图谱(IR1) 金刚烷酮(700-58-3)质谱(MS) 金刚烷酮(700-58-3)红外图谱(IR2) 金刚烷酮(700-58-3)核磁图( 13 CNMR) 金刚烷酮(700-58-3)核磁图( 1 HNMR) 金刚烷酮(700-58-3)Raman光谱
  • Alfa Aesar:2-金刚烷酮,98% 2-Adamantanone, 98%(700-58-3)

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. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C10 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Adamantanes

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