1-Hydroxyethenyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Hydroxyethenyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate
• 英文别名: 1-hydroxyethenyl 3-(2,3-dihydroxypropylsulfanyl)-2-methylpropanoate
• 化学式: C₉H₁₆O₅S
• 分子量: 236.29
• InChiKey: GXMQAQFBQRTQJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• HYDROLYSABLE AND POLYMERIZABLE SILANES WITH ADJUSTABLE SPATIAL DISTRIBUTION OF THE FUNCTIONAL GROUPS, AND USE THEREOF
  申请人：Frauhofer-Gesellschaft zur Foerderung der angewardten forschung e.V.

  公开号：US20140221521A1

  公开（公告）日：2014-08-07

  The present invention relates to a process for a chain extension of radicals bonded to silicon via carbon in silanes or siloxanes while maintaining or increasing the number of functional groups on the respective Si—C-bonded radicals, wherein a silane or siloxane with a radical bonded to a silicon atom by a carbon atom, which bears at least two functional groups, wherein a first group of the functional groups is an unsaturated, organically polymerizable group and a second group of the functional groups is selected from among (a) additional unsaturated, organically polymerizable groups, (b) COOR 8 or —(O) b P(O)(R 5 ) 2 and (c) —OH, with R 8 equal to R 4 or M 1/x x+ wherein M x+ is a hydrogen or an x-fold positively charged metal cation, and b=0 or 1, is converted in a first reaction with a compound of a formula (I) X—W—(Z) a (I) wherein X is SH, NH 2 or NHR 4 , Z is OH, the carboxylic acid radical —COOH or a salt or an ester of this radical or a silyl radical, W is a substituted or non-substituted hydrocarbon, the chain of which can be interrupted by —S—, —O—, —NH—, —NR 4 —, —C(O)O—, —NHC(O)—, —C(O)NH—, —NHC(O)O—, —C(O)NHC(O)—, —NHC(O)NH—, —S(O)—, —C(S)O—, —C(S)NH—, —NHC(S)—, —NHC(S)O—, and a is 1, 2, 3, 4 or a greater whole number, wherein R 4 is a non-substituted or substituted hydrocarbon radical, R 5 is a non-substituted or substituted hydrocarbon radical or OR 6 , R 6 is hydrogen or a non-substituted or substituted hydrocarbon radical to such an extent that the radical X connects to the first functional group. Furthermore, the invention relates to multiple processes, which, based on the aforementioned first reaction, comprise additional process steps and either lead to compounds/silicic acid polycondensates with reactive groups Q, wherein Q is OH, NR 7 2 , NR 7 3 + , CO 2 H, SO 3 H, PO(OH) 2 PO(OR 4 ) 2 or a salt of the aforementioned acids, wherein R 4 has the meaning specified above for formula (I), and R 7 either has the same meaning as R 4 or two radicals R 7 together can represent a potentially substituted, potentially unsaturated alkylene group, or to compounds/silicic acid polycondensates, in which unsaturated, organically polymerizable groups are located farther out, wherein the Si—C-bonded radicals can potentially have a dendrimer-like structure. Products of the process pursuant to the invention and organic polymers produced as a result are likewise encompassed by the invention.
• SILICIC ACID POLYCONDENSATES HAVING CYCLIC OLEFIN-CONTAINING STRUCTURES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF
  申请人：Fraunhofer-Gesellschaft zur Foerderung der angewandten Forschung e.V.

  公开号：US20140249325A1

  公开（公告）日：2014-09-04

  The present invention relates to silicic acid (hetero) polycondensates comprising structural units of a following formula (1) wherein radicals, indices, and bonding symbols have the following meaning: R 1 refers to a group that is accessible to a thiol-ene polyaddition when a thiol is added and can also be polymerized by a ROMP (ring opening metathesis polymerization), R 2 is selected from (a) organically polymerizable groups that are available to a thiol-ene polyaddition when a thiol is added, but not to a ROMP, (b) —COOR 8 with R 8 equal to R 4 or M 1/x x+ , (c) —OH or COOH, and (d) —(O) b P(O)(R 5 ) 2 , wherein b is equal to 0 or 1, —SO 3 M 1/x x+ , NR 7 2 or NR 7+ 3 , wherein M x+ is an x-fold positively charged metal cation, R 4 is a non-substituted or substituted hydrocarbon radical, the radicals R 5 independently represent a non-substituted or substituted hydrocarbon radical or OR 6 and R 6 is hydrogen or a non-substituted or substituted hydrocarbon radical, R 7 has either the same meaning as R 4 or two radicals R 7 together represent a double-bonded, substituted or non-substituted, saturated or unsaturated hydrocarbon group, R 3 represents a radical bonded to a silicon atom of said formula (1) by a carbon atom, to which the radical R 1 is bonded o-fold and the radical R 2 is bonded n-fold and which is equivalent or has different meanings in the same condensate, each of the indices, n and o represents 0, 1, 2 or greater than 2 with the stipulation that n+o represents at least 2, at least one of the three bonds of a Si atom not further identified represents an oxygen bridge to an additional silicon atom or potentially to another metal atom, while the other two bonds either have the same meaning or instead represent an OH group, a hydrolysable group, or a radical bonded the said silicon atom via carbon, wherein each radical R 3 of said structure (1) must have at least one group R 1 or one group R 2 having the meaning specified in (a) and then, if said radicals R 3 are equal, (x) each radical has at least one group R 1 and either one group R 2 with the meaning specified in (a) or a second group R 1 (i.e. in these cases, o=2 or greater than 2), wherein, in both cases, n must be at least 1 or (xx) if, in addition, n is equal to 0, at least two groups R 1 have a different meaning, and then, if the radicals R 3 are different, a first part of the radicals has at least one group R 1 and one of the following two conditions must be complied with: (x) an additional part of the radicals has at least one group R 2 with the meaning specified in (a) or (d), and (xx) two different radicals R 3 have at least one group R 1 (i.e. o=1 or greater than 1). The invention also relates to the production of condensates as well as their possible uses.
• Use of an Unfilled or Filler-Filled, Organically-Modified Silicic Acid (Hetero)Polycondensate in Medical and Non-Medical Processes for Modifying the Surface of a Body Comprised of a Previously Hardened, Unfilled or Filler-Filled Silicic Acid (Hetero) Polycondensate in Particular for Dental “Chairside” Treatment
  申请人：Fraunhofer-Gesellschaft Zur Foerderung der angewandten Forschung e.V.

  公开号：US20150148446A1

  公开（公告）日：2015-05-28

  The present invention relates to an organically-modified, organically cross-linked silicic acid (hetero) polycondensate or composite, comprising an organically-modified, organically cross-linked silicic acid (hetero) polycondensate and a filler, for intraoral application, particularly for application when repairing an existing dental replacement in the mouth of a patient or for applying an enamel layer to an anatomically-reduced, milled crown base body already located in the mouth of a patient, wherein said existing dental replacement or said crown base body is comprised of a material having free hydroxy, carboxyl, thio or amino groups, or forming these on its surface following a physical-chemical treatment and/or potentially having active C═C double bonds, comprising the following steps in the mouth of the patient: (a) If necessary, processing of the previously existing dental replacement to remove damaged or no longer necessary elements, (b) Applying a bonding agent to the surface of said potentially processed dental replacement or said crown base body, (c) Overlaying the surface of said potentially processed dental replacement or said crown base body coated with bonding agent with said organically-modified silicic acid (hetero) polycondensate or said composite in a liquid or paste-like form, and (d) Hardening the overlay achieved pursuant to (c) through organic cross-linking by means of light hardening or redox-induced hardening, wherein said bonding agent is or has a compound having at least two identical substituents selected from among hydroxy groups, isocyanate groups, epoxy groups, potentially activated carboxylic acid groups, thiol groups, primary and secondary amino groups of cyclical carbonate groups having a potentially activated C═C double bond. The invention further relates to the use of the specified materials for dental purposes conducted in a laboratory, as well as for purposes beyond the field of dentistry.
• US9206205B2
  申请人：——

  公开号：US9206205B2

  公开（公告）日：2015-12-08
• US9233992B2
  申请人：——

  公开号：US9233992B2

  公开（公告）日：2016-01-12