2',4'-Dihydroxyacetophenone 2,4-二羟基苯乙酮

CAS 89-84-9 MFCD00002279

化学结构图

89-84-9
SMILES: CC(=O)c1ccc(O)cc1O

化学属性

Mol. FormulaC8H8O3
Mol. Weight152.15
Density1.18
Melting Point143-145°C
TSCAYes
Boiling Point234.6 °C at 760 mmHg
Appearance 针状或叶状结晶。熔点147℃，相对密度1.180。在水中渐渐分解。溶于热醇、吡啶及冰醋酸中，几乎不溶于醚、苯和氯仿。与氯化铁作用显红色。

别名和识别编码

Chemical Name2',4'-Dihydroxyacetophenone
CAS Number89-84-9
Synonym 2',4'-Dihydroxyacetophenone {LY} 2',4'-Dihydroxyacetophenone {} {LY} 2',4'-Dihydroxyacetophenone {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2',4'-Dihydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2',4'-Dih
EC Number201-945-3
Beilstein Registry Number1282505
MDL NumberMFCD00002279
Merck Number8140
PubChem Substance ID87567215
Reaxys-RN1282505
Chemical Name Translation2,4-二羟基苯乙酮
Wiswesser Line NotationQR CQ DV1
LabNetwork Molecule IDLN00008658
InChIInChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
Canonical SMILESCC(C1=CC=C(O)C=C1O)=O
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; alcohol; 1fragment
  • Miscellaneous Reagents
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 用作有机合成中间体。医药工业用于制冠心病药乙氧黄酮等。

相关文献及参考

  • Merck: 14,8140
  • Merck: 14,8140 Beilstein:8,266
  • Short: EINECS
  • Short: III/35E
  • Short: III/38B
  • The position of O-alkylation can be varied by suitable choice of reagent. Thus, NaH in DMSO followed by MeI gives predominantly the 2-alkylated product, whereas Li2CO3 in DMF favors 4-alkylation. The latter is a fairly general method for the alkylation of phenols, thiophenols and ß-diketones with pKa less than about 8: Synth. Commun., 18, 1379 (1988).
  • [1]. Li XJ, et al. Bioactive metabolites from biotransformation of paeonol by the white-rot basidiomycete Coriolus versicolor. Nat Prod Commun. 2011 Aug;6(8):1129-30.

安全信息

Signal word Danger
GHS Symbol
WGK Germany2
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 Wear suitable protective clothing 穿戴适当的防护服；
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
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
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。
  • 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。
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P310
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • 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
RTECSAM7525000
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Moisture Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2830 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological
   Series, Bulletin. (Pittsburgh, PA)  1947-69.  Volume(issue)/page/year:
   6,1,1967

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 20 mg/kg
SEX/DURATION            : female 4 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   JSICAZ Journal of Scientific and Industrial Research, Section C: Biological
   Sciences.  (New Delhi, India)  V.14-21, 1955-62.  For publisher information,
   see IJEBA6.  Volume(issue)/page/year: 19,264,1960

其他信息

  • MOL 文件:89-84-9.mol
  • TCI Shanghai:2',4'-二羟基苯乙酮 2',4'-Dihydroxyacetophenone,>;98.0%(GC)(T)(89-84-9)
  • 海关编码:29145000
  • Sigma Aldrich:89-84-9(sigmaaldrich)
  • Acros Organics:2',4'-二羟基苯乙酮 2',4'-Dihydroxyacetophenone, 98%(89-84-9)
  • 下游产品:7-羟基香豆素 --> 1-[4-(苯甲酰氧基)-2-羟基苯基]-3-苯基-1,3-丙二酮 --> 1-[2,4-双(苯甲酰氧基)苯基]乙酮 --> 7-羟基黄酮
  • 图谱信息:2,4-二羟基苯乙酮(89-84-9)质谱(MS) 2,4-二羟基苯乙酮(89-84-9)红外图谱(IR1) 2,4-二羟基苯乙酮(89-84-9)核磁图( 1 HNMR)
  • Alfa Aesar:2',4'-二羟基苯乙酮,98% 2',4'-Dihydroxyacetophenone, 98%(89-84-9)
  • Hazard Note:Irritant
  • 用途一:用作有机合成中间体。医药工业用于制冠心病药乙氧黄酮等。
  • 上游原料:氯化锌 --> 间苯
  • MSDS 信息:Resacetophenone(89-84-9).msds
  • 方法一:由间苯二酚与乙酸乙酰化而得。此外，由间苯二酚与氯乙酰或乙酐在氯化锌存在下反应，也可制得该品。
  • 敏感性:Moisture Sensitive
  • 在水中渐渐分解。溶于热醇、吡啶及冰醋酸中，几乎不溶于醚、苯和氯仿。与氯化铁作用显红色。
  • 2,4-二羟基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0561 2',4'-二羟基苯乙酮 2',4'-Dihydroxyacetophenone 25G 258元 2014/06/02 D0561 2',4'-二羟基苯乙酮 2',4'-Dihydroxyacetophenone 500G 2230元 2010/06/21 114801000 2,4-二羟基苯乙酮 2',4'-Dihydroxyacetophenone 98% 100 GR 810元

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
  6. C7 to C8 - 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 - Carbonyl Compounds
  6. C7 to C8 - 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. Aromatic 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
  6. C3 to C6
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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