2-Hydroxycyclohepta-2,4,6-trienone 环庚三烯酚酮

CAS 533-75-5 MFCD00004158

化学结构图

533-75-5
SMILES: O=c1cccccc1O

化学属性

Mol. FormulaC7H6O2
Mol. Weight122
Boiling Point80-84
Melting Point50-54
Density1.278
Flash Point>110°(230°F)
TSCANo
Stability易吸潮

别名和识别编码

Chemical Name2-Hydroxycyclohepta-2,4,6-trienone
Synonym 2,4,6-Cycloheptatrien-1-one, 2-hydroxy- 2-HYDROXY-2,4,6-CYCLOHEPTATRIEN-1-ONE 2-Hydroxy-2,4,6-Cycloheptatrie 2-Hydroxy-2,4,6-cycloheptatrien-1-one 2-Hydroxy-2,4,6-cycloheptatrienone 2-Hydroxy-2,4,6-cycloheptatrienone; 2-Hydroxycyclohepta-2,4,6-trienone 2-Hydroxycyclohepta-2,4,6-trien-1-one 2-Hydroxycyclohepta-2,4,6-trienone 2-Hydroxytropone 2-hydroxycyclohepta-2,4,6-trienone 2-hydroxytropone 2-羟基-2,4,6-环庚三烯-1-酮 6-cycloheptatrien-1-one,2-hydroxy-4 Purpurocatechol TROPOLONE TROPOLONE 99+% Tropolone Tropolone,98% a-Tropolone {} {} {} {} {uni_ha α-Tropolone 【草(之上)+卓】酚酮 托酚酮 环庚三烯酚酮 环庚三烯酚酮/托酚酮 草酚酮,托酚酮 革酚酮
MDL NumberMFCD00004158
PubChem Substance ID10789
Beilstein Registry Number1904978
CAS Number533-75-5
EC Number208-577-2
Reaxys-RN1904978
Chemical Name Translation环庚三烯酚酮
Wiswesser Line NotationL7VJ BQ
LabNetwork Molecule IDLN00193176
InChIInChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
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分类

  • Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; large ring; 7ring; ketone; alcohol; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 医药中间体间。

相关文献及参考

  • [2]. VardaKahn, et al.Inhibition of mushroom tyrosinase by tropolone Phytochemistry. Volume 24, Issue 5, 1985, Pages 905-908
  • Beilstein: 8,IV,159
  • Non-benzenoid aromatic system, analogous to phenol. For a review of 7-membered conjugated cyclic systems, see: Chem. Rev., 73, 293 (1973). For a study of the role of chelation and resonance in the intrinsic acidity and basicity of tropolone, see: J. Org. Chem., 62, 3200 (1997).
  • Reagent for Rh: Mikrochim. Acta, 459 (1972).
  • Short: II/2
  • Short: II/24B
  • [1]. Donald D Nolting,et al. Synthesis of bicyclo[5.3.0]azulene derivatives. Nat Protoc. 2009; 4(8): 1113–1117.
  • [1]. Donald D Nolting,et al. Synthesis of bicyclo[5.3.0]azulene derivatives. Nat Protoc. 2009; 4(8): 1113–1117.
  • [2]. VardaKahn, et al.Inhibition of mushroom tyrosinase by tropolone Phytochemistry. Volume 24, Issue 5, 1985, Pages 905-908

安全信息

RTECSGU4075000
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
Storage condition 2-8℃ 0-10°C Hygroscopic 0-10 2-8°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 106 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 92,19,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 190 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Behavioral - rigidity (including catalepsy)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 14,217,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 233 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - analgesia
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 91,550,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 212 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Behavioral - rigidity (including catalepsy)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1

其他信息

  • 海关编码:29144090
  • 用途二:医药中间体间。
  • 环庚三烯酚酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0606 环庚三烯酚酮 Tropolone 1G 220元 2014/06/02 T0606 环庚三烯酚酮 Tropolone 25G 1900元 2014/06/02 T0606 环庚三烯酚酮 Tropolone 5G 750元
  • Alfa Aesar:品托酮,98% Tropolone, 98%(533-75-5)
  • 外观性质:浅黄色结晶。沸点：80-84 °C/0.1 mmHg熔点：50-52 °C闪点：112 °C
  • Acros Organics:环庚三烯酚酮/托酚酮 Tropolone, 98%(533-75-5)
  • Sigma Aldrich:533-75-5(sigmaaldrich)
  • MOL 文件:533-75-5.mol
  • 敏感性:Hygroscopic
  • F:8-10-23
  • TCI Shanghai:环庚三烯酚酮 Tropolone,>;98.0%(GC)(T)(533-75-5)
  • 图谱信息:环庚三烯酚酮(533-75-5)红外图谱(IR1)
  • 七碳环状化合物:环庚三烯酚酮是一种七碳环状化合物，又称托酚酮、2-羟庚芳酮，呈弱酸性，具有芳香族化合物的特性，双键性和弱酮基性。在自然界中已知含有七碳环状的化合物有以下十余种： 1，日桧醇（hinokitiol）作为红色铁络合物存在于台湾丝柏木材中。 2，α-和γ-守侧素（thujapricin，β-体与日桧醇相同）存在于丝柏和针叶类植物中。它作为金钟柏属植物的抗菌物质对木材具有防腐作用。 3，α-及β-体在丝柏精油中也有存在。密挤青霉酸（stipitatic acid，6-羟基芳庚酮-4-羧酸）作为青霉菌属的代谢产物而形成，具有抗菌作用。 4，红紫棓精（purpurogallin）作为糖苷存在于壳斗科檞属植物虫瘿里，可被用作酚氧化酶试验。 5，努特卡扁柏（Cha- maecyparis nootkatensis）心材中的努特卡扁柏素（nootkatin）和作为抑制物质的秋水仙素及其类似的秋水仙属（Colchicum）的副生物碱类。 根据如上化合物的性质，科学家推测托酚酮会在活体成分代谢过程中起着重要作用。在1936年首先由日本科学家野副铁男在研究日桧醇时候开始关注环庚三烯酚酮，而欧美是在研究密挤青霉酸（stipitatic acid）和秋水仙素的结构开始，更深入的研究是在1950年以后了。
  • 用途一:用作医药、染料中间体
  • MSDS 信息:2-Hydroxycyclohepta-2,4,6-trienone(533-75-5).msds

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. Alkenes 烯烃
  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. Chemicals by Class 化学分类法
  4. Tropolones & Azulenes
  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. Tyrosinase  (酪氨酸酶)