2-hydroxy-3,4,5-trimethyl-benzaldehyde | 103324-14-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-hydroxy-3,4,5-trimethyl-benzaldehyde
• 英文别名: 2-Hydroxy-3,4,5-trimethylbenzaldehyde
• CAS: 103324-14-7
• 化学式: C₁₀H₁₂O₂
• 分子量: 164.204
• InChiKey: OZIJNHAWDPOXIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氢氰酸 、 2,3,4-三甲基苯酚 在 盐酸 、 三氯化铝 作用下， 生成 2-hydroxy-3,4,5-trimethyl-benzaldehyde 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  v.Auwers; Mauss, Chemische Berichte, 1928, vol. 61, # 1501, p. 1507

  摘要：

  DOI：

文献信息

• Tissue Factor Production Inhibitor
  申请人：Terasaka Naoki

  公开号：US20080255111A1

  公开（公告）日：2008-10-16

  A medicament which has an activity of inhibiting production of tissue factor and comprises an LXR ligand as an active ingredient; and a medicament for treatment and/or prophylaxis of vascular restenosis following angioplasty, endarterectomy, percutaneous transluminal coronary angioplasty (PTCA) or stent implantation, or treatment and/or prophylaxis of blood coagulation diseases, diseases induced by platelet aggregation including stable or unstable angina pectoris, cardiovascular and cerebrovascular diseases including thromboembolism formation diseases accompanying diabetes, rethrombosis following thrombolysis, cerebral ischemic attack, infarction, stroke, ischemia-derived dementia, peripheral artery disease, thromboembolism formation diseases during use of an aorta-coronary artery bypass, glomerulosclerosis, renal embolism, tumor or cancer metastasis, which comprises an LXR ligand as an active ingredient.

  一种药物，具有抑制组织因子产生活性，包括LXR配体作为活性成分;以及用于治疗和/或预防血管再狭窄的药物，包括血管成形术，动脉内膜切除术，经皮冠状动脉成形术（PTCA）或支架植入术后的治疗和/或预防，或治疗和/或预防血液凝固疾病，包括稳定或不稳定的心绞痛，心血管和脑血管疾病，包括伴随糖尿病的血栓栓塞形成疾病，溶栓后再栓塞，脑缺血发作，梗塞，中风，缺血性痴呆，周围动脉疾病，主动脉冠状动脉旁路使用期间的血栓栓塞形成疾病，肾小球硬化，肾脏栓塞，肿瘤或癌症转移，其中包括LXR配体作为活性成分。
• METHOD FOR PRODUCING IRON COMPLEX AND METHOD FOR PRODUCING ESTER COMPOUND USING IRON COMPLEX
  申请人：Kuraray Co., Ltd.

  公开号：EP3476828A1

  公开（公告）日：2019-05-01

  The invention provides a simple and high-yield method for producing an iron dinuclear complex which has, in its molecule, a structure having two iron atoms bonded to each other via one oxygen atom and a ligand structure containing a Schiff base; an ester compound production method which can produce an ester compound with a high yield by the transesterification of an alcohol compound with a carboxylate ester even in the case where the raw material alcohol has a tertiary hydroxyl group which is usually difficult to esterify by transesterification; and an ester compound production method which can produce by transesterification catalyzed by an iron complex a wholly esterified compound, i.e., can esterify all the hydroxyl groups, with a high yield even in the case where the alcohol compound has a plurality of hydroxyl groups. A method for producing an iron complex represented by the general formula (4) or (5) includes a step (I-1) of preparing a precursor solution by mixing in the presence of water an iron salt and a compound represented by the general formula (1), and a step (I-2) of mixing the precursor solution with a compound represented by the general formula (2) or (3). A method for producing an ester compound includes a step (IV) of transesterifying a carboxylate ester with an alcohol compound in the presence of the iron complex described above.

  本发明提供了一种生产铁双核络合物的简单而高产的方法，该络合物的分子中具有两个铁原子通过一个氧原子相互结合的结构和一个含有希夫碱的配体结构；一种酯类化合物生产方法，该方法可通过醇类化合物与羧酸酯的酯交换反应高产率地生产酯类化合物，即使原料醇具有通常难以通过酯交换反应酯化的叔羟基；以及一种酯类化合物生产方法，该方法可通过铁络合物催化的酯交换反应生产完全酯化的化合物，即e.,即使在醇类化合物具有多个羟基的情况下，也能以高产率酯化所有羟基。一种生产通式(4)或(5)代表的铁络合物的方法，包括在有水的情况下将铁盐和通式(1)代表的化合物混合制备前体溶液的步骤(I-1)，以及将前体溶液与通式(2)或(3)代表的化合物混合的步骤(I-2)。生产酯类化合物的方法包括在上述铁络合物存在下将羧酸酯与醇类化合物进行酯交换反应的步骤（IV）。
• Method for producing iron complexes and method for producing ester compounds using iron complex
  申请人：KURARAY CO., LTD.

  公开号：US10646859B2

  公开（公告）日：2020-05-12

  Disclosed herein is method for producing an iron dinuclear complex having two iron atoms bonded to each other via one oxygen atom and a ligand structure containing a Schiff base, a method which can produce an ester compound in high yield by the transesterification of an alcohol compound with a carboxylate ester even in the case where the raw material alcohol has a tertiary hydroxyl group which is usually difficult to esterify by transesterification, and a method which can produce a wholly esterified compound by transesterification catalyzed by an iron complex.

  本文公开了一种生产铁双核络合物的方法，该络合物具有两个通过一个氧原子相互结合的铁原子和一个含有希夫碱的配体结构；一种通过醇类化合物与羧酸酯的酯交换反应可以高产率生产酯类化合物的方法，即使原料醇具有通常难以通过酯交换反应酯化的叔羟基；以及一种通过铁络合物催化的酯交换反应可以生产完全酯化的化合物的方法。
• METHOD FOR PRODUCING IRON COMPLEXES AND METHOD FOR PRODUCING ESTER COMPOUNDS USING IRON COMPLEX
  申请人：Kuraray Co., Ltd.

  公开号：EP3476828B1

  公开（公告）日：2021-03-17
• MICROBIOCIDAL BENZOXABOROLES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：US20180000090A1

  公开（公告）日：2018-01-04

  Compounds of formula (I) are as defined in the claims, and their use in compositions and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.