2-Ethyl-but-1-yl-carbamat | 24847-58-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Ethyl-but-1-yl-carbamat
• 英文别名: 2-ethylbutyl carbamate；carbamic acid-(2-ethyl-butyl ester)；3-Carbamoyloxymethyl-pentan；Carbamidsaeure-(2-aethyl-butylester)；2-Aethyl-1-carbamoyloxy-butan；2-Ethyl-Butyl Carbamate
• CAS: 24847-58-3
• 化学式: C₇H₁₅NO₂
• mdl: MFCD19204205
• 分子量: 145.202
• InChiKey: IACWDLHSJCOUGC-UHFFFAOYSA-N

物化性质

• 沸点：
  237.3±8.0 °C(Predicted)
• 密度：
  0.957±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Ethyl-but-1-yl-carbamat 、 乙醛 在 盐酸 、 乙醚 作用下， 生成 N,N'-ethylidene-bis-carbamic acid bis-(2-ethyl-butyl ester)
  参考文献：
  名称：

  Kraft; Herbst, Journal of Organic Chemistry, 1945, vol. 10, p. 492

  摘要：

  DOI：
• 作为产物：
  描述：

  光气 、 2-乙基-1-丁醇 生成 2-Ethyl-but-1-yl-carbamat
  参考文献：
  名称：

  Taillandier; Benoit Guyod; Boucherle, European Journal of Medicinal Chemistry, 1975, vol. 10, # 5, p. 453 - 462

  摘要：

  DOI：

文献信息

• PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT
  申请人：Ashikawa Masanori

  公开号：US20120004197A1

  公开（公告）日：2012-01-05

  Disclosed is a compound which has a low molecular weight and has an activity of enhancing the production of EPO and/or an activity of enhancing the production of hemoglobin. Specifically disclosed is and EPO production enhancer and/or a hemoglobin production enhancer comprising a 1-acyl-4-(substituted oxy, substituted amino, or substituted thio)-1,2,3,4-tetrahydroquinoline derivative, more specifically a tetrahydroquinoline compound represented by general formula (1) [wherein R 1 , R 2 , R 2′ , R 3 and R 3′ independently represent a hydrogen atom, a C 1-6 alkyl group, or the like; R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 independently represent a hydrogen atom, a halogen atom, a C 1-6 alkyl group, or the like; A represents N—R 11 , a sulfur atom, or an oxygen atom; R 11 represents a hydrogen atom, a C 1-6 alkyl group, or the like; B represents a C 6-14 aryl group, or a 5- to 10-membered heterocyclic group; and n represents an integer of 0 or 1], a salt of the tetrahydroquinoline compound, or a solvate of the tetrahydroquinoline compound or the salt.

  揭示了一种具有低分子量的化合物，具有增强EPO产生和/或增强血红蛋白产生活性的化合物。具体揭示了一种EPO产生增强剂和/或血红蛋白产生增强剂，包括1-酰基-4-(取代氧基、取代氨基或取代硫基)-1,2,3,4-四氢喹啉衍生物，更具体地说是由通式(1)表示的四氢喹啉化合物【其中R1、R2、R2'、R3和R3'独立地表示氢原子、C1-6烷基或类似物；R4、R5、R6、R7、R8、R9和R10独立地表示氢原子、卤素原子、C1-6烷基或类似物；A表示N—R11、硫原子或氧原子；R11表示氢原子、C1-6烷基或类似物；B表示C6-14芳基或5-至10-成员杂环基；n表示0或1的整数】，四氢喹啉化合物的盐，或四氢喹啉化合物或其盐的溶剂化合物。
• Syntheses and Evaluation of Anticonvulsant Activity of Novel Branched Alkyl Carbamates
  作者：Naama Hen、Meir Bialer、Boris Yagen

  DOI：10.1021/jm201751x

  日期：2012.3.22

  2-ethyl-3-methyl-butyl-carbamate (34) and 2-ethyl-3-methyl-pentyl-carbamate (38) also exhibited potent activity in the pilocarpine-SE model 30 min postseizure onset. Extending the aliphatic side chains of homologous carbamates from 7 to 8 (34 to 35) and from 8 to 9 carbons in the homologues 38 and 43 decreased the activity in the pilocarpine-SE model from ED50 = 81 mg/kg (34) to 94 mg/kg (35) and from 96 mg/kg (38)

  合成了一类新型的19种氨基甲酸酯，并在大鼠最大电击（MES）和皮下甲硝唑（scMet）癫痫发作测试和毛果芸香碱引起的癫痫持续状态（SE）模型中比较了它们的抗惊厥活性。尽管所述烷基氨基甲酸酯紧密的结构特征，仅化合物34，38，和40都处于活动状态的MES试验。癫痫发作后30分钟，类似物2-乙基-3-甲基-丁基-氨基甲酸酯（34）和2-乙基-3-甲基-戊基-氨基甲酸酯（38）也表现出有效的活性。将同源氨基甲酸酯的脂族侧链从7延伸到8（34到35）和同源物38和43中的8至9个碳降低了毛果芸豆SE模型中的活性，从ED 50 = 81 mg / kg（34）降至94 mg / kg（35）和96 mg / kg（38）。分别达到114 mg / kg（43）。最有效的氨基甲酸酯，苯基-乙基-氨基甲酸酯（47）（MES ED 50 = 16 mg / kg）在其结构中包含一个芳香族部分。化合物34，
• PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA, COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT
  申请人：Kowa Company, Ltd.

  公开号：EP2199283A1

  公开（公告）日：2010-06-23

  Disclosed is a low-molecular-weight compound having an EPO production-promoting activity and/or a hemoglobin expression-enhancing activity. Specifically disclosed is an EPO production promoter and/or a hemoglobin expression enhancer comprising a 1-acyl-4-(phenoxy, benzyloxy or phenylamino)-1,2,3,4-tetrahydroquinoline derivative, more specifically a tetrahydroquinoline compound represented by the general formula (1); [wherein R1, R2, R2', R3 and R3' independently represent a hydrogen atom, a C1-6 alkyl group, or the like; R4, R5, R6, R7, R8, R9 and R10 independently represent a hydrogen atom, a halogen atom, a C1-6 alkyl group, or the like; A represents N-R11 or an oxygen atom; R11 represents a hydrogen atom, a C1-6 alkyl group, or the like; and n represents an integer of 0 or 1], a salt of the tetrahydroquinoline compound, or a solvate of the tetrahydroquinoline compound or the salt.

  本文披露了一种具有促进EPO产生活性和/或增强血红蛋白表达活性的低分子化合物。具体披露了一种EPO产生促进剂和/或血红蛋白表达增强剂，包括1-酰基-4-(苯氧基、苄氧基或苯基氨基)-1,2,3,4-四氢喹啉衍生物，更具体地说是由通式（1）表示的四氢喹啉化合物；[其中R1、R2、R2'、R3和R3'独立地表示氢原子、C1-6烷基或类似物；R4、R5、R6、R7、R8、R9和R10独立地表示氢原子、卤素原子、C1-6烷基或类似物；A表示N-R11或氧原子；R11表示氢原子、C1-6烷基或类似物；n表示0或1的整数]，四氢喹啉化合物的盐，或四氢喹啉化合物或其盐的溶剂结晶体。
• Quantitative structure-activity relationships of anticonvulsant aralkyl and alkyl carbamates.
  作者：MITSUYO TANAKA、KAZUYOSHI HORISAKA、CHISAKO YAMAGAMI、NARAO TAKAO、TOSHIO FUJITA

  DOI：10.1248/cpb.33.2403

  日期：——

  A series of aralkyl and alkyl carbamates of the type R1OCONR2R3 (R1=alkyl or aralkyl, R2, R3=H, Me, Et) were prepared and tested for anticonvulsant activity in mice by means of the maximal electroshock seizure test. The ED50 values were analyzed in terms of hydrophobic (log P), electronic (σ1) and other parameters by regression analysis. The results are essentially the same as those for previously studied m-and p-substituted benzyl N, N-dimethylcarbamates (X-C6H4-CH2OCONMe2). The activity depended parabolically on log P with an optimum log P of 1.7, and was negatively correlated with σ1. It was also found that the potency is reduced when R1 is an alkyl group or includes a hydrogen-bonding group. Structural requirements for the optimal potency and the aromatic ring contribution to the activity are discussed.

  一系列类型为 R1OCONR2R3（R1=烷基或芳香烷基，R2、R3=氢、甲基、乙基）的芳烷基和烷基氨基甲酸酯被合成并通过最大电击惊厥测试在小鼠中测试其抗惊厥活性。ED50 值通过回归分析在疏水性 (log P)、电子性 (σ1) 和其他参数的基础上进行了分析。结果与之前研究的 m-和 p-取代苯基 N,N-二甲基氨基甲酸酯 (X-C6H4-CH2OCONMe2) 的结果基本相同。活性与 log P 呈抛物线关系，最佳 log P 为 1.7，并与 σ1 负相关。还发现，当 R1 为烷基或包含氢键结合基时，活性降低。讨论了最佳活性的结构要求以及芳香环对活性的贡献。
• 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same
  申请人：Tsukamoto Yoshihisa

  公开号：US20050037925A1

  公开（公告）日：2005-02-17

  A compound represented by the formula: [wherein R 1 represents a hydrogen atom, a halogen, atom, alkyl group, etc., R 2 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 3 , R 4 , R 5 , R 6 and R 7 each independently represent a hydrogen atom, a halogen atom, a substitutable alkyl group, a substitutable alkenyl group, alkynyl group, a substituteable cycloalkyl group, etc., or R 3 , R 4 , R 5 , R 6 and R 7 may form a ring which may be substituted, which is formed by the adjacent two of them with carbon atoms to which the respective substituents are bonded, m and n each independently represent 0 or 1.] a salt thereof, an ester derivative thereof and an agricultural chemical containing the same as an effective ingredient, and a herbicidal composition containing the compound and a second herbicidally active compound as effective ingredients.

  一种化合物由以下式子表示：[其中R1代表氢原子，卤素原子，烷基团等，R2代表氢原子，卤素原子，烷基团等，R3，R4，R5，R6和R7各自独立地代表氢原子，卤素原子，可替换的烷基团，可替换的烯基团，炔基团，可替换的环烷基团等，或R3，R4，R5，R6和R7可以形成一个环，该环可以被取代，该环由相邻的两个碳原子形成，这些碳原子与相应的取代基团相连，m和n各自独立地代表0或1。]其盐，酯衍生物及含有该化合物为有效成分的农药，以及含有该化合物和第二种草甘膦活性化合物为有效成分的除草剂组合物。