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'-Dihydroxyacetop
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} 2-8°C, stored under nitro
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


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