3-(2-benzyloxy-phenyl)-propan-1-ol | 152105-59-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(2-benzyloxy-phenyl)-propan-1-ol
• 英文别名: 3-(2-benzyloxyphenyl)propan-1-ol；3-(2-(benzyloxy)phenyl)propan-1-ol；3-benzyloxybenzene-2-propanol；3-(2-phenylmethoxyphenyl)propan-1-ol
• CAS: 152105-59-4
• 化学式: C₁₆H₁₈O₂
• 分子量: 242.318
• InChiKey: ZIZIRFBMCDNBGA-UHFFFAOYSA-N

物化性质

• 沸点：
  389.6±22.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(2-benzyloxy-phenyl)-propan-1-ol 在 氢溴酸 、 三乙胺 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 12.42h， 生成 2-(3-propyl-TBD)-phenol
  参考文献：
  名称：

  [EN] SYNTHETIC METHODS
  [FR] PROCÉDÉS DE SYNTHÈSE

  摘要：

  公开号：

  WO2012075277A3
• 作为产物：
  描述：

  氢化肉桂酸内酯 在 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 22.08h， 生成 3-(2-benzyloxy-phenyl)-propan-1-ol
  参考文献：
  名称：

  [EN] SYNTHETIC METHODS
  [FR] PROCÉDÉS DE SYNTHÈSE

  摘要：

  公开号：

  WO2012075277A3

文献信息

• β-Hydroxy-α-tosyloxy esters as chiral building blocks for the enantioselective synthesis of benzo-annulated oxa-heterocycles: scope and limitations
  作者：Sajal Kumar Das、Gautam Panda

  DOI：10.1016/j.tet.2008.03.001

  日期：2008.5

  The enantioselective synthesis of benzo-annulated oxa-heterocycles 2,3-dihydrobenzofuran and 1-benzopyran derivatives is described using β-hydroxy-α-tosyloxy esters as chiral building blocks, which are easily accessible through the regioselective α-tosylation of Sharpless asymmetric dihydroxylation-derived syn-2,3-dihydroxy esters.

  使用β-羟基-α-甲苯磺酰氧基酯作为手性结构单元描述了苯并环的氧杂杂环2,3-二氢苯并呋喃和1-苯并吡喃衍生物的对映选择性合成，可通过Sharpless不对称二羟基化的区域选择性α-甲苯磺酸化轻松实现衍生的顺-2,3-二羟基酯。
• Application of Phenolate Ion Mediated Intramolecular Epoxide Ring Opening in the Enantioselective Synthesis of Functionalized 2,3-Dihydrobenzofurans and 1-Benzopyrans¹
  作者：Gautam Panda、Subal Dinda、Sajal Das

  DOI：10.1055/s-0028-1088077

  日期：2009.6

  The enantioselective synthesis of 2-isopropenyl-2,3-dihydrobenzofurans, 4-(2,3-dihydrobenzofuran-2-yl)-2-methylbut-3-en-2-ols, 2-hydroxymethyl chromans, and 4-chroman-2-yl-2-methylbut-3-en-2-ols has been achieved using Sharpless asymmetric epoxidation-derived enantiomerically enriched epoxy alcohols as chiral building blocks. A phenolate ion mediated intramolecular epoxide ring-opening reaction was

  对映选择性合成2-异丙烯基-2,3-二氢苯并呋喃，4-（2,3-二氢苯并呋喃-2-基）-2-甲基丁-3-烯-2-醇，2-羟甲基苯并二氢吡喃和4-苯并二氢吡喃-使用Sharpless不对称环氧化衍生的对映异构体富集的环氧醇作为手性结构单元，可以实现2-yl-2-甲基but-3-en-2-ols。酚盐离子介导的分子内环氧化物开环反应是每个环化反应的关键步骤。 2-异丙烯基-2,3-二氢苯并呋喃-2-羟甲基苯并二氢吡喃-环氧化-环氧化物-多环化合物-开环 CDRI通信号码7184。
• Pharmacologically active
  申请人：Pfizer Inc.

  公开号：US04285867A1

  公开（公告）日：1981-08-25

  Compounds having the formula ##STR1## wherein ##STR2## R.sub.1 is hydrogen, benzyl or alkanoyl, X is C.sub.2-4 alkylene; and Z-W is alkyl, phenylalkyl or pyridylalkyl which can have an oxygen atom as part of the alkyl chain and their use as CNS agents, antidiarrheals and antiemetics. Processes for their preparation and intermediates therefor are described.

  具有以下化学式的化合物##STR1##其中##STR2##R.sub.1为氢、苄基或烷酰基，X为C.sub.2-4烷基；Z-W为烷基、苯基烷基或吡啶基烷基，其中烷基链中可能含有氧原子，并且它们作为中枢神经系统药物、止泻药和止吐药的用途。描述了它们的制备过程和中间体。
• POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS
  申请人：Terasaka Tadashi

  公开号：US20100009991A1

  公开（公告）日：2010-01-14

  The present invention relates to a novel compound or a salt thereof, which is useful as a CRTH2 antagonist, especially as a medicament for disorder that participates eosinophil, for example, allergic disorder such as asthma, allergic rhinitis, allergic dermatitis, conjunctival inflammation, hives, eosinophilic bronchitis, food allergy, inflammation of the nasal sinuses, multiple sclerosis, angiitis, or chronic obstructive pulmonary disease (COPD) and the like.

  本发明涉及一种新型化合物或其盐，该化合物可作为CRTH2拮抗剂使用，特别是作为治疗参与嗜酸性粒细胞的疾病的药物，例如哮喘、过敏性鼻炎、过敏性皮炎、结膜炎、荨麻疹、嗜酸性支气管炎、食物过敏、鼻窦炎炎症、多发性硬化症、血管炎或慢性阻塞性肺疾病（COPD）等疾病。
• 4-(Substituted phenyl)-naphthalen-2(1H)-ones and 2-ols, processes for their preparation, and pharmaceutical compositions containing them
  申请人：PFIZER INC.

  公开号：EP0049953A2

  公开（公告）日：1982-04-21

  Compounds having the formula wherein A when taken individually is hydrogen; B when taken individually is hydroxy or alkanoyloxy having from one to five carbon atoms; A and B when taken together are oxo; R, is hydrogen, benzyl, or R1' wherein R1' is alkanoyl having from one to five carbon atoms, P(O) (OH)2 and mono-and disodium and potassium salts thereof, -CO(CH2)2COOH and the sodium and potassium salts thereof, or -CO(CH2)pNR4R5 wherein p is 0 or an integer from 1 to 4, each of R4 and R5 when taken individually is hydrogen or alkyl having from one to four carbon atoms; R4 and R5 when taken together with the nitrogen to which they are attached are piperidino, pyrrolo, pyrrolidino, morpholino or N-alkylpiperazino having from one to four carbon atoms in the alkyl group; R2 when taken individually is hydrogen; R3 when taken individually is hydrogen, methyl, hydroxy, hydroxymethyl, -OR,' or -CH2OR1'; R2 and R3 when taken together are oxo, methylene or alkylenedioxy having from two to four carbon atoms; W is hydrogen, pyridyl, or wherein W, is hydrogen, chloro or fluoro; when W is hydrogen, Z is (a) alkylene having from five to thirteen carbon atoms; or (b) -lalk1)m-O-(alk2)n- wherein each of (alk,) and (alk2) is alkylene having from one to thirteen carbon atoms; each of m and n is 0 or 1; with the provisos that the summation of carbon atoms in (alk1) plus (alk2) is not less than five or greater than thirteen; and at least one of m and n is 1; when W is other than hydrogen, Z is (a) alkylene having from three to eight carbon atoms; or (b) -(elk1)m-O-(alk2)n- wherein each of (alk1) and (alk2) is alkylene having from one to eight carbon atoms; each of m and n is 0 or 1; with the provisos that the summation of carbon atoms in (alk,) plus (alk2) is not less than three or greater than eight; and at least one of m and n is 1; or a pharmaceutically acceptable acid addition salt of those compounds wherein R, is -CO(CH2)pNR4R5 and/or W is pyridyl; pharmaceutical compositions containing them, and processes for their preparation. The compounds are particularly useful in the treatment of nausea and as analgesics.

  具有以下式子的化合物 其中 A 单独取值时为氢；B 单独取值时为具有 1 至 5 个碳原子的羟基或烷酰氧基； A 和 B 合在一起时为氧代； R，是氢、苄基或 R1'，其中 R1'是具有 1 至 5 个碳原子的烷酰基、P(O) (OH)2 及其单钠盐、二钠盐和钾盐、-CO(CH2)2COOH 及其钠盐和钾盐，或-CO(CH2)pNR4R5，其中 p 是 0 或 1 至 4 的整数，R4 和 R5 单独使用时各自是氢或具有 1 至 4 个碳原子的烷基；R4 和 R5 与它们所连接的氮一起为哌啶基、吡咯基、吡咯烷基、吗啉基或 N-烷基哌嗪基，烷基中含有 1 至 4 个碳原子； R2 单独使用时为氢 R3 单独为氢、甲基、羟基、羟甲基、-OR、'或-CH2OR1'；R2 和 R3 合在一起为具有 2 至 4 个碳原子的氧代、亚甲基或亚烷基二氧基； W 是氢、吡啶基或 其中 W 是氢、氯或氟； 当 W 是氢时，Z 是 (a) 具有 5 至 13 个碳原子的亚烷基；或 (b) -lalk1)m-O-(alk2)n- 其中(alk,)和(alk2)各自为具有一至十三个碳原子的亚烷基；m 和 n 各自为 0 或 1；但前提是(alk1)和(alk2)中碳原子的总和不小于五个或大于十三个；且 m 和 n 中至少有一个为 1； 当 W 不是氢时，Z 是 (a) 具有三至八个碳原子的亚烷基；或 (b) -(elk1)m-O-(alk2)n- 其中(alk1)和(alk2)各为具有 1 至 8 个碳原子的亚烷基；m 和 n 各为 0 或 1；但前提是(alk,)加(alk2)中碳原子的总和不小于 3 或大于 8；且 m 和 n 中至少有一个为 1； 或这些化合物的药学上可接受的酸加成盐，其中 R, 是-CO(CH2)pNR4R5 和/或 W 是吡啶基；含有这些化合物的药物组合物及其制备工艺。这些化合物特别适用于治疗恶心和镇痛。