3-(4-叔丁基苯氧基)-丙烷-1,2-二醇 | 53379-99-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-叔丁基苯氧基)-丙烷-1,2-二醇
• 英文名称: 1,2-dihydroxy-3-(4'-tert-butylphenoxy)propane
• 英文别名: 3-(4-tert-butylphenoxy)-propane-1,2-diol；3-(4-tert-butyl-phenoxy)-propane-1,2-diol；3-(4-tert-Butyl-phenoxy)-propan-1,2-diol；Glycerin-2-；1-(p-tert.-Butylphenyl)-2,3-dihydroxypropylether；1-O-p-tert-Butylphenyl-glycerin；3-(4-(Tert-butyl)phenoxy)propane-1,2-diol；3-(4-tert-butylphenoxy)propane-1,2-diol
• CAS: 53379-99-0
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: RQALAXUIVBCOQY-UHFFFAOYSA-N

物化性质

• 熔点：
  83-84 °C
• 沸点：
  86 °C
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-叔丁基苯氧基)-丙烷-1,2-二醇 在 四丁基溴化铵 、 sodium hydroxide 作用下， 反应 2.0h， 以0.35 g的产率得到di-[2-hydroxy-3-(4'-tert-butylphenoxy)propyl]ether
  参考文献：
  名称：

  화장료 또는 피부외용제, 및 프로필 페닐 에테르 유도체

  摘要：

  本发明具有优异的黑色素生成抑制效果（美白效果）和抗菌效果，同时具有优异的经时稳定性，作为化妆品原料而适当地使用，提供了一种取代了叔丁基等的肽基的酰胺，以及与酰胺等取代的丙氨酸结合的丙氨酸肽醚衍生物化合物，以及包含该化合物作为有效成分的黑色素生成抑制剂、美白剂、抗菌剂，以及特指含有该化合物的化妆品。

  公开号：

  KR20150074160A
• 作为产物：
  描述：

  4-叔丁基苯酚 、 3-氯-1,2-丙二醇 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 3-(4-叔丁基苯氧基)-丙烷-1,2-二醇
  参考文献：
  名称：

  甘油的手性对烷基苯基醚：手性驱动的结晶，液晶和胶凝性能的合成和测试

  摘要：

  合成了一系列对映纯和外消旋对烷基苯甘油醚1a - k。开发了一种新的，灵敏的，图形的固体对映体纯和外消旋样品红外光谱比较的方法，以获得有关这些化合物的结晶类型的初步信息。为了检测手性固相组织中的细微差异，一种新的易于实施的方法是基于色谱法，该方法测量单一溶液中对映体的相对丰度，该溶液与任意（0

  DOI：

  10.1016/j.tetasy.2013.05.017

文献信息

• VINYL RESIN AND RESIN COMPOSITION
  申请人：SANYO CHEMICAL INDUSTRIES, LTD.

  公开号：US20150119497A1

  公开（公告）日：2015-04-30

  The present invention aims to provide a vinyl resin which, with a polyurethane resin, is capable of providing a film excellent in mechanical strength, weather resistance, solvent resistance, and water resistance. The vinyl resin (V1) of the present invention is obtainable by polymerizing monomer components including a monomer (X) represented by the formula (1): wherein M 1 is a hydroxy group or a residue of an active hydrogen-containing organic compound having a valence of 1 to 20 from which c number of active hydrogen atoms are removed; c is 1 if M 1 is a hydroxy group, or c is an integer satisfying 1≦c≦(valence of M 1 ) if M 1 is a residue of an active hydrogen-containing organic compound having a valence of 1 to 20 from which c number of active hydrogen atoms are removed; R 1 is an ethylenic unsaturated bond-containing group, and when the formula (1) includes multiple R1's, they may be the same as or different from each other; M 2 is a hydroxy group or a residue of an active hydrogen-containing organic compound having a valence of 1 to 20 from which one active hydrogen atom is removed, and when the formula (1) includes multiple M 2 's, they may be the same as or different from each other, and M 2 and M 1 may be the same as or different from each other; L is a residue of an aromatic polycarboxylic acid having 3 or more carboxyl groups from which all the carboxyl groups are removed, the aromatic ring of L is constituted by carbon atoms, and each of the carbon atoms may optionally have a halogen atom and/or a substituent which is not a carboxyl group, but at least one of the carbon atoms has a hydrogen atom; a and b are each an integer of 0 or greater and they satisfy 2≦(a+b)≦(d−2), when the formula (1) includes multiple a's, they may be the same as or different from each other and at least one of c number of a's is not 0, and when the formula (1) includes multiple b's, they may be the same as or different from each other; and d is the number of hydrogen atoms bonded to the carbon atoms constituting the aromatic ring assuming that all the substituents including the carboxyl groups of the aromatic polycarboxylic acid are replaced by hydrogen atoms, in other words, the number of moieties capable of being replaced by a substituent on the aromatic ring.

  本发明旨在提供一种乙烯基树脂，该树脂与聚氨酯树脂一起使用，能够提供机械强度、耐候性、耐溶剂性和耐水性优异的膜。本发明的乙烯基树脂（V1）可通过聚合单体组分获得，该组分包括由式（1）表示的单体（X）：其中M1是具有1到20个活性氢原子的具有价为1到20的活性氢含有机化合物的羟基或残基，从中去除了c个活性氢原子，则当M1是羟基时，c为1，或当M1是具有价为1到20的活性氢含有机化合物的残基时，c是满足1≤c≤（M1的价）的整数；R1是含有乙烯基不饱和键的基团，当式（1）包括多个R1时，它们可以相同或不同；M2是具有1到20个活性氢原子的具有价为1到20的活性氢含有机化合物的羟基或残基，从中去除了一个活性氢原子，当式（1）包括多个M2时，它们可以相同或不同，且M2和M1可以相同或不同；L是具有3个或更多羧基的芳香族多羧酸的残基，L的芳香环由碳原子构成，每个碳原子可以选择性地具有卤素原子和/或不是羧基的取代基，但至少有一个碳原子具有氢原子；a和b分别是大于或等于0的整数，它们满足2≤（a+b）≤（d-2），当式（1）包括多个a时，它们可以相同或不同，并且c个a中至少有一个不为0，当式（1）包括多个b时，它们可以相同或不同；d是假设芳香环上包括羧基的所有取代基都被氢原子取代的碳原子上结合的氢原子数，换句话说，是能够被芳香环上取代基替换的基团数。
• PROPYL-PHENYL-ETHER DERIVATIVE, AND MELANOGENESIS INHIBITOR, SKIN-LIGHTENING AGENT, ANTIMICROBIAL AGENT AND COSMETIC CONTAINING SAID PROPYL-PHENYL-ETHER DERIVATIVE
  申请人：SEIWA KASEI COMPANY, LIMITED

  公开号：US20150238401A1

  公开（公告）日：2015-08-27

  Provided is a compound that exhibits an excellent melanogenesis-inhibiting effect (skin-lightening effect), exhibits an excellent antimicrobial effect, excels in terms of temporal stability and the like, and is suitable for use as an ingredient of a cosmetic. Said compound is a propyl-phenyl-ether derivative compound comprising a propyl group that has a substituent such as a hydroxyl group and is bound to the hydroxyl group of a phenol group that has a substituent such as a tert-butyl group. A melanogenesis inhibitor, skin-lightening agent, and antimicrobial agent containing the aforementioned compound as an active ingredient are also provided, as is a cosmetic characterized by containing said compound.

  提供了一种化合物，具有出色的黑色素生成抑制作用（美白作用），表现出出色的抗菌作用，在时间稳定性等方面表现出色，并适用于作为化妆品成分。该化合物是一种丙基苯醚衍生物化合物，包括一个丙基基团，其具有类似于羟基的取代基，并与具有类似于叔丁基的取代基的酚基的羟基结合。还提供了一种含有上述化合物作为活性成分的黑色素生成抑制剂，美白剂和抗菌剂，以及一种含有该化合物的化妆品。
• Muscle-Relaxing Compounds Similar to 3-(o-Toloxy)-1,2-propanediol. II. Substituted Alkanediols¹
  作者：Harry L. Yale、Edward J. Pribyl、William Braker、Jack Bernstein、W. A. Lott

  DOI：10.1021/ja01164a108

  日期：1950.8
• Kinetic resolution of acyclic 1,2-diols using a sequential lipase-catalyzed transesterification in organic solvents
  作者：Fritz Theil、Judith Weidner、Sibylle Ballschuh、Annamarie Kunath、Hans Schick

  DOI：10.1021/jo00081a018

  日期：1994.1

  A method for the kinetic resolution of 3-(aryloxy)-1,2-propanediols rac-1a-n without additional protection-deprotection steps using a lipase-catalyzed sequential transesterification with lipase amnno PS has been developed. In the first step of this one-pot procedure the racemic 1,2-diols are acylated regioselectively at the primary hydroxy group without enantioselection. The subsequent acylation at the secondary hydroxy group of the formed primary monoacetate is responsible for high enantioselection. The enantioselectivity of this transformation depends significantly on the substitution pattern of the aryl ring and the organic solvent used. 3-(Aryloxy)-1,2-propanediols with substituents in the para-position show a much higher enantioselectivity than the corresponding derivatives with ortho-substituents. Among other substrates, the pharmaceuticals Mephenesin, Guaifenesin, and Chlorphenesin have been resolved. The replacement of the aryloxy by alkyl substituent causes a dramatic decrease of enantioselectivity.
• Auzou; Rips; Derappe, European Journal of Medicinal Chemistry, 1974, vol. 9, # 5, p. 548 - 554
  作者：Auzou、Rips、Derappe、Peyroux

  DOI：——

  日期：——