1,2-dihydroxy-3-[4'-(1",1",3",3"-tetramethylbutyl)phenoxy]propane | 53380-05-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2-dihydroxy-3-[4'-(1",1",3",3"-tetramethylbutyl)phenoxy]propane
• 英文别名: 3-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-propane-1,2-diol；(+/-)-(2.3-Dihydroxy-propyl)-[4-(1.1.3.3-tetramethyl-butyl)-phenyl]-aether；(+/-)-2.3-Dihydroxy-1-[4-(1.1.3.3-tetramethyl-butyl)-phenoxy]-propan；3-[4-(1,1,3,3-Tetramethyl-butyl)-phenoxy]-propan-1,2-diol；3-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]propane-1,2-diol；3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propane-1,2-diol
• CAS: 53380-05-5
• 化学式: C₁₇H₂₈O₃
• 分子量: 280.408
• InChiKey: ZKHAEWTVENPPOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 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：

  乙酸乙烯酯 、 1,2-dihydroxy-3-[4'-(1",1",3",3"-tetramethylbutyl)phenoxy]propane 以 四氢呋喃 为溶剂， 反应 94.0h， 以47%的产率得到(R)-1-acetoxy-3-<4-(1,1,3,3,-tetramethylbutyl)phenoxy>-2-propanol
  参考文献：
  名称：

  Lipase-catalysed resolution of 3-(aryloxy)-1,2-propanediol derivatives — Towards an improved active site model of Pseudomonas cepacia lipase (amano PS)

  摘要：

  A variety of 3-(aryloxy)-1,2-propanediol derivatives with different substituents on the aromatic ring or at the primary hydroxy group were used as substrates in a kinetic resolution by transesterification with vinyl acetate catalysed by lipase from Pseudomonas cepacia (Amano PS). Derivatives with substituents in the para-position of the aromatic ring were accepted as substrates and resolved with high enantioselectivity. The corresponding derivatives with substituents in the ortho-position were much worse substrates for lipase PS or even non-substrates if the substituent was sufficiently space-filling as found for the tert-butyl, phenyl, benzyl or benzoyl residue. Otherwise, if the primary hydroxy group was substituted by unbranched long-chain acyl residues very good substrates were resulting. In contrast, derivatives with sterically crowded residues at the primary hydroxy group such as the pivaloyl, tert-butyldimethylsilyl, methanesulfonyl, para-toluenesulfonyl or trityl groups were nonsubstrates for lipase PS.

  DOI：

  10.1016/0957-4166(95)00166-m
• 作为产物：
  描述：

  缩水甘油 、 对特辛基苯酚 在 四丁基溴化铵 、 sodium hydroxide 作用下， 反应 5.0h， 以0.40 g的产率得到1,2-dihydroxy-3-[4'-(1",1",3",3"-tetramethylbutyl)phenoxy]propane
  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

文献信息

• 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。
• 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：EP2915796A1

  公开（公告）日：2015-09-09

  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.

  本发明提供了一种化合物，该化合物具有出色的黑色素生成抑制效果（美白效果）、出色的抗菌效果、出色的时间稳定性等，适合用作化妆品成分。所述化合物是一种丙基苯基醚衍生物化合物，包括一个具有羟基等取代基的丙基，并与具有叔丁基等取代基的苯酚基的羟基结合。还提供了含有上述化合物作为活性成分的黑色素生成抑制剂、皮肤美白剂和抗菌剂，以及以含有上述化合物为特征的化妆品。
• Tertiary alkylaryloxy alkylols
  申请人：ROHM & HAAS

  公开号：US02075018A1

  公开（公告）日：1937-03-30
• [EN] PROPYL-PHENYL-ETHER DERIVATIVE AND MELANOGENESIS INHIBITOR, SKIN-LIGHTENING AGENT, ANTIMICROBIAL AGENT, AND COSMETIC CONTAINING SAID PROPYL-PHENYL-ETHER DERIVATIVE<br/>[FR] DÉRIVÉ DE PROPYLPHÉNYLÉTHER ET INHIBITEUR DE MÉLANOGENÈSE, AGENT D'ÉCLAIRCISSEMENT DE LA PEAU, AGENT ANTIMICROBIEN ET PRODUIT COSMÉTIQUE CONTENANT LEDIT DÉRIVÉ DE PROPYLPHÉNYLÉTHER
  申请人：SEIWA KASEI CO LTD

  公开号：WO2014069555A1

  公开（公告）日：2014-05-08

  　優れたメラニン生成抑制効果（美白効果）、抗菌効果を有するとともに経時安定性等に優れ、化粧料の原料として好適に用いられる化合物として、ｔｅｒｔ－ブチル基等が置換したフェノール基の水酸基に、水酸基等が置換したプロピル基が結合したプロピルフェニルエーテル誘導体化合物を提供するとともに、前記化合物を有効成分として含有するメラニン生成抑制剤、美白剤、抗菌剤及び前記化合物を配合することを特徴とする化粧料を提供する。
• 화장료 또는 피부외용제, 및 프로필 페닐 에테르 유도체
  申请人：SEIWA KASEI COMPANY LIMITED 세이와 카세이 콤파니 리미티드(520100108171)

  公开号：KR20150074160A

  公开（公告）日：2015-07-01

  본 발명은 우수한 멜라닌 생성 억제 효과(미백 효과), 항균 효과를 가짐과 동시에 경시적 안정성 등이 우수하여 화장료의 원료로서 바람직하게 사용되는 화합물로서, tert-부틸기 등이 치환된 페놀기의 수산기에, 수산기 등이 치환된 프로필기가 결합된 프로필 페닐 에테르 유도체 화합물을 제공하며, 또한 상기 화합물을 유효성분으로서 함유하는 멜라닌 생성 억제제, 미백제, 항균제 및 상기 화합물을 배합하는 것을 특징으로 하는 화장료를 제공한다.

  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。