N-[2-羟基-3-[(2-甲基-1-氧代烯丙基)氧基]丙基]-N-苯基甘氨酸 | 4896-81-5

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 甘氨酸类衍生物
• 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
• 中文名称: N-[2-羟基-3-[(2-甲基-1-氧代烯丙基)氧基]丙基]-N-苯基甘氨酸
• 英文名称: Cervident
• 英文别名: 2-(N-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]anilino)acetic acid
• CAS: 4896-81-5
• 化学式: C₁₅H₁₉NO₅
• 分子量: 293.31
• InChiKey: GPLACOONWGSIIP-UHFFFAOYSA-N

物化性质

• 沸点：
  515.4±50.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  87.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-苯基甘氨酸 、 甲基丙烯酸缩水甘油酯 生成 N-[2-羟基-3-[(2-甲基-1-氧代烯丙基)氧基]丙基]-N-苯基甘氨酸
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES
  申请人：Ivoclar Vivadent AG

  公开号：US20170156993A1

  公开（公告）日：2017-06-08

  Radically polymerizable dental material, which contains at least one compound of Formula I: and at least one thermolabile radically polymerizable compound and/or at least one photolabile radically polymerizable compound. The materials are characterized by debonding-on-demand properties.

  具有至少一种I式化合物的根本可聚合牙科材料，以及至少一种热敏根本可聚合化合物和/或至少一种光敏根本可聚合化合物。这些材料具有按需脱粘特性。
• Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids
  申请人：IVOCLAR VIVADENT AG

  公开号：US20140296364A1

  公开（公告）日：2014-10-02

  The invention relates to a dental material which comprises a polymerizable bisphosphonic acid of Formula I: The invention also relates to the use of a polymerizable bisphosphonic acid of Formula I for the preparation of a dental material and in particular for the preparation of an adhesive, cement or composite.

  这项发明涉及一种包括化学式I的可聚合双膦酸的牙科材料。该发明还涉及使用化学式I的可聚合双膦酸制备牙科材料，特别是用于制备粘合剂、水泥或复合材料。
• DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES
  申请人：Moszner Norbert

  公开号：US20140329929A1

  公开（公告）日：2014-11-06

  The invention relates to a dental restorative material which comprises a thermolabile or photolabile polymerizable compound of Formula I: [(Z 1 ) m -Q 1 -X)] k -T-[Y-Q 2 -(Z 2 ) n ] 1 Formula I, in which T represents a thermolabile or photolabile group, Z 1 and Z 2 in each case independently represent a polymerizable group selected from vinyl groups, CH 2 ═CR 1 —CO—O— and CH 2 ═CR 1 —CO—NR 2 — or an adhesive group selected from —Si(OR) 3 , —COOH, —O—PO(OH) 2 , —PO(OH) 2 , —SO 2 OH and —SH, wherein at least one Z 1 or Z 2 is a polymerizable group, Q 1 in each case independently is missing or represents an (m+1)-valent linear or branched aliphatic C 1 -C 20 radical which can be interrupted by —O—, —S—, —CO—O—, —O—CO—, —CO—NR 3 —, —NR 3 —CO—, —O—CO—NR 3 —, —NR 3 —CO—O— or —NR 3 —CO—NR 3 —, Q 2 in each case independently is missing or represents an (n+1)-valent linear or branched aliphatic C 1 -C 20 radical which can be interrupted by —O—, —S—, —CO—O—, —O—CO—, —CO—NR 3 —, —NR 3 —CO—, —O—CO—NR 3 —, —NR 3 —CO—O— or —NR 3 —CO—NR 3 —, X and Y in each case independently are missing or represent —O—, —S—, CO—O—, —O—CO—, —CO—NR 3 —, —NR 3 —CO—, —O—CO—NR 3 —, —NR 3 —CO—O— or —NR 3 —CO—NR 3 —, R, R 1 , R 2 and R 3 in each case independently represent H or a C 1 -C 7 alkyl radical and k, l, m and n in each case independently are 1, 2 or 3.

  该发明涉及一种牙科修复材料，包括具有以下化学式I的热敏性或光敏性可聚合化合物：[(Z1)m-Q1-X)]k-T-[Y-Q2-(Z2)n]1，在该式中，T代表热敏性或光敏性基团，Z1和Z2分别独立地代表从乙烯基、CH2═CR1—CO—O—和CH2═CR1—CO—NR2—中选择的可聚合基团，或从—Si(OR)3、—COOH、—O—PO(OH)2、—PO(OH)2、—SO2OH和—SH中选择的粘附基团，其中至少一个Z1或Z2是可聚合基团，Q1分别独立地缺失或代表一个(m+1)-价的线性或支链脂肪族C1-C20基团，该基团可以通过—O—、—S—、—CO—O—、—O—CO—、—CO—NR3—、—NR3—CO—、—O—CO—NR3—、—NR3—CO—O—或—NR3—CO—NR3—中断，Q2分别独立地缺失或代表一个(n+1)-价的线性或支链脂肪族C1-C20基团，该基团可以通过—O—、—S—、—CO—O—、—O—CO—、—CO—NR3—、—NR3—CO—、—O—CO—NR3—、—NR3—CO—O—或—NR3—CO—NR3—中断，X和Y分别独立地缺失或代表—O—、—S—、CO—O—、—O—CO—、—CO—NR3—、—NR3—CO—、—O—CO—NR3—、—NR3—CO—O—或—NR3—CO—NR3—，R、R1、R2和R3分别独立地代表H或C1-C7烷基基团，k、l、m和n分别独立地为1、2或3。
• Photo-curable reparative material for dental use
  申请人：——

  公开号：US20030162863A1

  公开（公告）日：2003-08-28

  A photocurable dental restorative comprising (i) 100 parts by weight of a polymerizable monomer, (ii) 0.01 to 5 parts by weight of a photopolymerization initiator of acylphosphine oxide, and (iii) 200 to 1900 parts by weight of an inorganic filler, wherein the inorganic filler (iii) is a mixed filler of: (A) irregular-shaped inorganic particles having an average particle size of not smaller than 0.1 &mgr;m but smaller than 1 &mgr;m; (B) spherical inorganic particles having an average primary particle size of not smaller than 0.1 &mgr;m but not larger than 5 &mgr;m; and (C) fine inorganic particles having an average primary particle size of not larger than 0.1 &mgr;m; which are so blended as to satisfy the following mass ratios circle over (1)} to circle over (3)}: mA /( mB+mC )=0.2 to 3  circle over (1)} mB /( mB+mC )=0.5 to 0.99  circle over (2)} mC /( mB+mC )=0.01 to 0.5  circle over (3)} where mA, mB and mC are masses of the inorganic particles (A) to (C). The restorative features excellent handling property, and makes it possible to obtain a cured product having a high fracture toughness and excellently glossy surface.

  一种光固化牙科修复材料，包括（i）100份重量的可聚合单体，（ii）0.01至5份重量的酰基膦氧化物光聚合引发剂，和（iii）200至1900份重量的无机填料，其中无机填料（iii）是以下混合填料：（A）具有平均粒径不小于0.1μm但小于1μm的不规则形状无机颗粒；（B）具有平均初级粒径不小于0.1μm但不大于5μm的球形无机颗粒；和（C）具有平均初级粒径不大于0.1μm的细微无机颗粒；这些颗粒混合以满足以下质量比圆圈1}至圆圈3}：mA/(mB+mC)=0.2至3；mB/(mB+mC)=0.5至0.99；mC/(mB+mC)=0.01至0.5；其中mA、mB和mC分别为无机颗粒（A）至（C）的质量。该修复材料具有出色的操作性能，可以获得具有高断裂韧性和极佳光泽表面的固化产品。
• Dental materials with improved hydrolysis stability based on phthalic acid monomers
  申请人：BOCK Thorsten

  公开号：US20130090404A1

  公开（公告）日：2013-04-11

  Dental material which contains a polymerizable phthalic acid derivative of the general Formula I: with R 1 ═H, methyl or a C 1 -C 5 alkyl residue; R 2 ═H, a phenyl, benzyl or C 1 -C 8 alkyl residue; Q 1 =is absent or is a C 1 -C 15 alkylene residue, wherein the carbon chain can be interrupted by O or S; Q 2 =is absent or a (n+1)-valent aliphatic C 1 -C 20 residue, wherein the carbon chain can be interrupted by O or S and wherein Q 1 and Q 2 cannot be absent simultaneously; X=is absent, is O, S or (—CO—NR 4 —)—, wherein R 4 is H, CH 3 or C 2 H 5 ; Y=is absent, is O, S or (—CO—NR 5 —)—, wherein R 5 is H, CH 3 or C 2 H 5 ; n, m=independently of one another in each case mean 1, 2 or 3; R 3 ═H, CH 3 , C 2 H 5 , Cl, Br or OCH 3 , and wherein the two carboxyl groups of the benzene ring can together form an anhydride group.

  含有一种聚合性邻苯二甲酸衍生物的牙科材料，其通式为I：其中R1═H，甲基或C1-C5烷基残基；R2═H，苯基，苄基或C1-C8烷基残基；Q1=不存在或是C1-C15烷基氧化物，碳链可以被O或S中断；Q2=不存在或是(n+1)-价脂肪族C1-C20残基，碳链可以被O或S中断，且Q1和Q2不能同时不存在；X=不存在，是O，S或(—CO—NR4—)—，其中R4为H，CH3或C2H5；Y=不存在，是O，S或(—CO—NR5—)—，其中R5为H，CH3或C2H5；n，m=分别独立地表示1、2或3；R3=H，CH3，C2H5，Cl，Br或OCH3，其中苯环的两个羧基可以共同形成酐基。