7-氨基-6-苯氧基-3-[(四氢呋喃-2-基)甲基]喹唑啉-4(3H)-酮 | 815-82-7

• 物质功能分类: 有机原料 - 有机金属盐
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: 7-氨基-6-苯氧基-3-[(四氢呋喃-2-基)甲基]喹唑啉-4(3H)-酮
• 英文名称: copper(II) L-tartrate
• 英文别名: Cu(II) (R,R)-tartrate；Cu(II)(R,R)-tartrate；Copper(II) (2R,3R)-2,3-dihydroxysuccinate；copper;(2R,3R)-2,3-dihydroxybutanedioate
• CAS: 815-82-7；3333-33-3；5020-95-1；13097-41-1；17263-56-8；23399-20-4；23482-65-7；27004-40-6
• 化学式: C₄H₄O₆*Cu
• 分子量: 211.618
• InChiKey: RSJOBNMOMQFPKQ-ZVGUSBNCSA-L

物化性质

• 熔点：
  ~275 °C (dec.)(lit.)
• 物理描述：
  Cupric tartrate appears as a green to blue odorless powder. Insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is noncombustible. Used for electroplating metals.
• 颜色/状态：
  LIGHT BLUE POWDER
• 沸点：
  Trihydrate decomposes on heating (USCG, 1999)
• 密度：
  greater than 1 (USCG, 1999)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.79
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

ADMET

毒理性

• 副作用

职业性肝毒素 - 第二性肝毒素：在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒案例。

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 人类毒性摘录

症状学：迅速呕吐（通常在摄入后5到10分钟内）。口腔、食道和胃部有灼痛感。口腔中有金属味。腹泻，可能伴有腹痛。便便中有黑色或隐血。头痛、冷汗、脉搏弱和其它休克的迹象。

SYMPTOMATOLOGY: PROMPT EMESIS (USUALLY WITHIN 5 TO 10 MIN /AFTER INGESTION/). ... BURNING PAIN IN MOUTH, ESOPHAGUS, & STOMACH. METALLIC TASTE IN MOUTH. DIARRHEA WITH OR WITHOUT COLICKY ABDOMINAL PAIN ... MELENA OR OCCULT BLOOD IN FECES. ... HEADACHE, COLD SWEAT, WEAK PULSE & OTHER SIGNS OF SHOCK ... .

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

黄疸...当严重时，通常是由于肝脏坏死，伴有肿胀和疼痛。有时病变是进行性的。轻度黄疸可能是急性溶血危机的证据，但无肝脏损伤。

JAUNDICE ... WHEN SEVERE, IT IS USUALLY DUE TO HEPATIC NECROSIS WITH SWOLLEN & PAINFUL LIVER. SOMETIMES LESION IS PROGRESSIVE. MILD JAUNDICE MAY EVIDENCE ACUTE HEMOLYTIC CRISIS WITHOUT LIVER INJURY.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• WGK Germany：
  3
• 危险品运输编号：
  UN 9111
• 安全说明：
  S24/25

制备方法与用途

该产品用于在电镀槽中进行铜的电镀过程。

反应信息

• 作为反应物：
  描述：

  7-氨基-6-苯氧基-3-[(四氢呋喃-2-基)甲基]喹唑啉-4(3H)-酮 在 sodium hydroxide 作用下， 以 not given 为溶剂， 生成 2Na⁽¹⁺⁾*3Cu⁽²⁺⁾*2OOCCH(OH)CH(OH)COO^(2-)*4OH^(1-)*3H₂O=Na₂{Cu₃(C₄H₄O₆)2(OH)4}*3H₂O
  参考文献：
  名称：

  Die Weinsäure-Methode zur Herstellung negativ geladener Sole

  摘要：

  DOI：

  10.1007/bf01496952
• 作为产物：
  描述：

  Cu⁽²⁺⁾*OOCCH(OH)CH(OH)COO^(2-)*4NH₃=CuC₄H₄O₆*4NH₃ 以 neat (no solvent) 为溶剂， 生成 7-氨基-6-苯氧基-3-[(四氢呋喃-2-基)甲基]喹唑啉-4(3H)-酮
  参考文献：
  名称：

  Schiff, H., Liebigs Annalen der Chemie, 1862, vol. 123, p. 1 - 55

  摘要：

  DOI：

文献信息

• Copper/Zinc <scp>L</scp> ‐Tartrates: Mixed Crystals and Thermolysis to a Mixture of Copper Oxide and Zinc Oxide That Is Catalytically Active in Methanol Synthesis
  作者：Rainer Weiss、Sascha Vukojević、Christian Baltes、Raoul Naumann d’Alnoncourt、Martin Muhler、Matthias Epple

  DOI：10.1002/ejic.200600561

  日期：2006.12

  The system consisting of copper/zinc L-tartrate mixed crystals has been systematically explored in the whole range from pure copper tartrate to pure zinc tartrate. Mixed crystal L-tartrates were prepared and their thermochemical behaviour under oxygen was investigated. Oxidic precatalysts (CuO/ZnO) for catalytic tests in methanol synthesis were prepared by mild thermolysis of the mixed tartrates in

  在从纯酒石酸铜到纯酒石酸锌的整个范围内系统地探索了由L-酒石酸铜/锌混晶组成的体系。制备混合晶体L-酒石酸盐并研究其在氧气下的热化学行为。通过混合酒石酸盐在 300 °C 下在空气中温和热解制备用于甲醇合成催化试验的氧化预催化剂（CuO/ZnO）。用多通道并联反应器进行催化试验。催化活性在大约等量的铜和锌时显示出最大值，而当从 CuO 变为 ZnO 时，比表面积（BET 表面积）显着增加。该系统提供了一种方便、廉价的途径来制备具有可调成分的 CuO/ZnO 预催化剂，在制备过程中避免了所有其他金属。(© Wiley-VCH Verlag GmbH & Co. KGaA,
• Spacu, G.; Voichescu, P., Zeitschrift fur anorganische Chemie, 1936, vol. 226, p. 273 - 288
  作者：Spacu, G.、Voichescu, P.

  DOI：——

  日期：——
• Werther, G., Journal fur praktische Chemie (Leipzig 1954), 1844, vol. 32, p. 385 - 411
  作者：Werther, G.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cu: MVol.B2, 69, page 774 - 777
  作者：

  DOI：——

  日期：——
• Transition metal complexes of dibenzoyl-L-tartaric acid (db-L-tarH2) and L-tartaric acid (L-tarH2) ;X-ray crystal structure of {[Cu(L-tar) (phen)] · 6H2O}n (phen = 1,10-phenanthroline)
  作者：Malachy McCann、Fergal Humphreys、Vickie McKee

  DOI：10.1016/s0277-5387(97)00100-9

  日期：1997.1

  Dibenzoyl-L-tartaric acid (db-L-tarH(2)) reacts with [Cu-2(mu-O2CCH3)(4)(H2O)(2)] to form the tartrate complex [Cu(L-tar)] (1) (L-tarH(2) = L-tartaric acid). 1 reacts with 2,2'-bipyridine (bipy) and 1,10-phenanthroline (phen) yielding [Cu(L-tar)(bipy)]. 6H(2)O (2) and [Cu(L-tar)(phen)]. 4H(2)O (3), respectively. A crystal of composition [Cu(L)-tar(phen)]. 6H(2)O}(n) (4) was taken directy from the original mother liquor of 3. The X-ray crystal structure of the polymeric complex 4 shows each copper(II) ion to be six-coordinate, being chelated by a phenanthroline ligand and also chelated by a carboxylate oxygen atom and a hydroxyl oxygen atom from one end of a tartrate group. A carboxylate oxygen atom and a hydroxyl oxygen atom from one end of a symmetry-related tartrate ligand also chelates to the metal. Dibenzoy-L-tartaric acid also reacts with [Mo-2(mu-O2CCH3)(4)], [Mo-2(CH3CN)(8)][BF4](4), [Ru-2(mu-O2CCH3Cl]}(n) and Na-4[Rh-2(mu-CO3)(4)]. 2.5H(2)O to give [Mo-2(db-L-tar)(2)]. 5H(2)O}(n) (5), [Mo-2(db-L-tar)(CH3CN)(4)][BF4](2) . 7H(2)O (6), [Ru-2(db-L-tar)(2.5)]. 2H(2)O}(n) (7) and [Rh-2(db-L-tar)(2)(H2O)(2)]. H2O}(n), (8), respectively. (C) 1997 Elsevier Science Ltd.