2-膦酰基丁酸 | 4378-40-9

• 物质功能分类: 有机原料 - 有机膦化合物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-膦酰基丁酸
• 英文名称: 2-phosphonobutyrate
• 英文别名: 2-phosphonobutanoic acid；(RS)-2-phosphonobutyric acid；2-phosphonobutyric acid
• CAS: 4378-40-9
• 化学式: C₄H₉O₅P
• mdl: MFCD00041416
• 分子量: 168.086
• InChiKey: PWSXRGRLZKVHLW-UHFFFAOYSA-N

物化性质

• 熔点：
  123-127°C
• 稳定性/保质期：
  常温常压下稳定，熔点为123-127℃。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 危险等级：
  8
• 危险类别码：
  R34
• 危险品运输编号：
  3261
• 包装等级：
  II
• 安全说明：
  S26,S36/37/39,S45

反应信息

• 作为反应物：
  描述：

  2-膦酰基丁酸 、 vanadia 在 benzylic alc. 、 aq. HCl 作用下， 生成
  参考文献：
  名称：

  Synthetic pathway to new vanadyl carboxyphosphonates

  摘要：

  In a previous work, we showed that intercalated vanadyl phosphonates were obtained from phosphonic acid HOOCCH2PO3H in alcoholic medium, whereas no intercalation occurred when carboxyethylphosphonic acid HOOC(CH2)(2)PO3H2 was used in the same medium, because the carboxylic acid functions were partially esterified in the interlamellar domain. The present work deals with the synthesis of new functionalized vanadyl phosphonates by choosing the appropriate precursors. These materials, the general formula of which is VORPO3. nH(2)O, were prepared from phosphonic acids where R consisted of a reactive ending -COOH and an alkyl chain such as in HOOC(CH2)nPO(3)H(2) (n = 1, 2, 3) or a ramified chain such as in HOOCCH(CH3)PO3H2 and HOOCCH(C(2)H5)PO3H2. Different synthesis methods were used depending on the organic component of the phosphonic acid used. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0025-5408(00)00190-2

文献信息

• Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (<i>RS</i> )-2-Phosphonobutyric Acid
  作者：Roberto Köferstein、Michael Arnold、Christian Robl

  DOI：10.1002/zaac.201700453

  日期：2018.3.1

  Blue single crystals of Cu[μ3-O3P(CH2)2COOH]*2H2O (1) and Cu[(RS)-μ3-O3PCH(C2H5)COOH]*3H2O (2) have been prepared in aqueous Cu2+-solutions (pH = 2.5–3.5) containing 3-phosphonopropionic acid (1) and (RS)-2-phosphonobutyric acid (2), respectively. 1: Space group Pbca (no. 61) with a = 812.5(2), b = 919.00(9), c = 2102.3(2) pm. Cu2+ is five-fold coordinated by three oxygen atoms stemming from [O3P(CH2)2COOH]2–

  Cu[μ3-O3P(CH2)2COOH]*2H2O (1) 和 Cu[(RS)-μ3-O3PCH(C2H5)COOH]*3H2O (2) 的蓝色单晶已在 Cu2+-水溶液中制备（pH = 2.5–3.5) 分别含有 3-膦酰基丙酸 (1) 和 (RS)-2-膦酰基丁酸 (2)。1：空间群 Pbca（第 61 号），a = 812.5(2), b = 919.00(9), c = 2102.3(2) pm。Cu2+ 由来自 [O3P(CH2)2COOH]2– 阴离子的三个氧原子和两个水分子进行五重配位。Cu-O 键长范围从 194.0(3) 到 231.8(4) pm。[O3P(CH2)2COOH]2– 阴离子和 Cu2+ 阳离子之间的连接产生了一种聚合物结构，其层与 (001) 平行。这些层通过氢键连接。2：空间群 Pbca（第 61 号），a = 1007.17(14), b = 961
• Self-extinguishing polymeric compositions
  申请人：Ministero Dell `Universita` e Della Ricerca Scientifica e Technologica

  公开号：US05302640A1

  公开（公告）日：1994-04-12

  Self-extinguishing, thermoplastic, polymeric compositions comprising a phhorus derivative and condensation compounds obtained by polymerizing polyaminic compositions essentially constituted by derivatives of 2,4,6-triamino-1,3,5-triazine, having the general formula (I): ##STR1## with aldehydes, preferably formaldehyde.

  自熄灭、热塑性、聚合物组成的磷衍生物和通过聚合基本上由2,4,6-三氨基-1,3,5-三嗪衍生物组成的聚氨酸组成的缩合化合物的热塑性聚合物组成物，其具有通式(I)的结构：##STR1##与醛反应，优选为甲醛。
• Synthetic pathway to new vanadyl carboxyphosphonates
  作者：E.M. Sabbar、M.E. de Roy、J.P. Besse

  DOI：10.1016/s0025-5408(00)00190-2

  日期：2000.1

  In a previous work, we showed that intercalated vanadyl phosphonates were obtained from phosphonic acid HOOCCH2PO3H in alcoholic medium, whereas no intercalation occurred when carboxyethylphosphonic acid HOOC(CH2)(2)PO3H2 was used in the same medium, because the carboxylic acid functions were partially esterified in the interlamellar domain. The present work deals with the synthesis of new functionalized vanadyl phosphonates by choosing the appropriate precursors. These materials, the general formula of which is VORPO3. nH(2)O, were prepared from phosphonic acids where R consisted of a reactive ending -COOH and an alkyl chain such as in HOOC(CH2)nPO(3)H(2) (n = 1, 2, 3) or a ramified chain such as in HOOCCH(CH3)PO3H2 and HOOCCH(C(2)H5)PO3H2. Different synthesis methods were used depending on the organic component of the phosphonic acid used. (C) 2000 Elsevier Science Ltd. All rights reserved.