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3-(4-(苄氧基)-3-甲氧苯基)丙-1-醇 | 57371-44-5

中文名称
3-(4-(苄氧基)-3-甲氧苯基)丙-1-醇
中文别名
——
英文名称
3-(4-(benzyloxy)-3-methoxyphenyl)propan-1-ol
英文别名
3-(3-methoxy-4-phenylmethoxyphenyl)propan-1-ol
3-(4-(苄氧基)-3-甲氧苯基)丙-1-醇化学式
CAS
57371-44-5
化学式
C17H20O3
mdl
——
分子量
272.344
InChiKey
VEJWDVSLFQNNAN-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.1
  • 重原子数:
    20
  • 可旋转键数:
    7
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.29
  • 拓扑面积:
    38.7
  • 氢给体数:
    1
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2909499000
  • 危险性防范说明:
    P261,P280,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H332,H335
  • 储存条件:
    室温且干燥

SDS

SDS:91f9213077176a6faf5cc52b5b32ab04
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    Intramolecular Regioselective Insertion into Unactivated Prochiral Carbon−Hydrogen Bonds with Diazoacetates of Primary Alcohols Catalyzed by Chiral Dirhodium(II) Carboxamidates. Highly Enantioselective Total Synthesis of Natural Lignan Lactones
    摘要:
    Intramolecular insertion into unactivated prochiral C-H bonds of 3-aryl-1-propyl diazoacetates catalyzed by dirhodium(II) tetrakis[methyl 1-(3-phenyl propanoyl)imidazolidin-2-one-4(R or S)-carboxylate], Rh-2(4R-MPPIM)(4) or Rh-2(4S-MPPIM)(4), occurs in 91-96% ee and with virtually complete regiocontrol for the formation of beta-benzyl-gamma-butyrolactones. This methodology has been applied to the total synthesis of dibenzylbutyrolactone lignans (-)- and (+)-enterolactone, (-)- and (+)-hinokinin, and (+)-arctigenin from substituted cinnamic acids in 19-27% overall yields. Aryltetralin lignan (+)-isodeoxypodophyllotoxin was prepared from the reactant 3,4-(methylenedioxy)cinnamic acid in 36% yield overall, and the lactone precursor to (+)-isolauricerisinol was formed in 96.5% ee and 23% yield overall. Applications of the chiral Rh-2(MPPIM)4 catalysts to fully aliphatic systems resulting in the formation of beta-substituted-gamma-butyrolactones with high regiocontrol and with 93-96% ee have demonstrated the generality of this methodology. A model that provides accurate predictions of beta-substituted-gamma-butyrolactone absolute configurations in these asymmetric metal carbene transformations is described.
    DOI:
    10.1021/jo961607u
  • 作为产物:
    描述:
    3-(4-羟基-3-甲氧基苯基)丙酸 在 lithium aluminium tetrahydride 、 硫酸四丁基碘化铵 、 sodium hydride 作用下, 以 乙醚 为溶剂, 反应 0.5h, 生成 3-(4-(苄氧基)-3-甲氧苯基)丙-1-醇
    参考文献:
    名称:
    Total synthesis of natural gingerols, the three active principles of ginger
    摘要:
    Natural gingerols, (+)(S)[6]-, (+)(S)[8]-, and (+)(S)[10]-gingerols, the three active principles of ginger, have been prepared from a common optically active intermediate 9 which was readily made by asymmetric synthesis from a chiral beta-keto sulfoxide 5.
    DOI:
    10.1021/jo00060a038
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文献信息

  • The first stereoselective total synthesis of a new antitumour and anti-inflammatory neolignan, surinamensinol A
    作者:Parigi Raghavendar Reddy、Biswanath Das
    DOI:10.1039/c3ra45419c
    日期:——
    The stereoselective total synthesis of an antitumour and anti-inflammatory 8-O-4′-neolignan, surinamensinol A has been accomplished starting from two aldehydes, 3,4,5-trimethoxy benzaldehyde and vanillin. The key steps involve an asymmetric reduction using a chiral oxazaborolidine complex, a Sharpless asymmetric dihydroxyllation and a Mitsunobu reaction. This is the first report of the total synthesis
    抗肿瘤和抗炎的8- O -4'-新木质素,苏人薄荷醇A的立体选择性全合成已经从两种醛,即3,4,5-三甲氧基苯甲醛香兰素开始。关键步骤包括使用手性恶唑硼烷配合物进行不对称还原,Sharpless不对称二羟基化反应和Mitsunobu反应。这是surinamensinol A全合成的首次报道。
  • Heterocyclic compounds, their production and use
    申请人:Takeda Chemical Industries, Ltd.
    公开号:US06211215B1
    公开(公告)日:2001-04-03
    Heterocyclic compounds represented by the general formula (I) wherein R stands for an optionally substituted aromatic heterocyclic group; X stands for oxygen atom, an optionally oxidated sulfur atom, —C(═O)— or —CH(OH)—; Y stands for CH or N; m denotes an integer of 0 to 10: n denotes an integer of 1 to 5: cyclic group  stands for an optionally substituted aromatic azole group; and ring A is optionally further substituted, or salts thereof. The compound (I) possesses action of inhibiting tyrosine kinase and useful as antitumor agents.
    通式(I)代表的杂环化合物,其中R代表一个可选择取代的芳香杂环基团;X代表氧原子,一个可选择氧化的原子,—C(═O)—或—CH(OH)—;Y代表CH或N;m表示0到10的整数;n表示1到5的整数;环状基团代表一个可选择取代的芳香唑基团;环A可以是可选择进一步取代的,或其盐。化合物(I)具有抑制酪氨酸激酶的作用,并可用作抗肿瘤剂。
  • First Enantioselective Synthesis of Surinamensinol B and a Non-Natural Polysphorin Analogue by a Two-Stereocentered Hydrolytic Kinetic Resolution
    作者:Komal G. Lalwani、Arumugam Sudalai
    DOI:10.1002/ejoc.201501009
    日期:2015.11
    An efficient and economical approach to the synthesis of antitumor and anti-inflammatory surinamensinol B (1) and antimalarial polysphorin analogue 2 has been achieved with high enantiomeric purity (96 % ee) by starting from commercially available 3,4,5-trimethoxybenzaldehyde. The key steps of the strategy include a Co-catalyzed two-stereocentered hydrolytic kinetic resolution (HKR) of racemic 2-[(methoxymethoxy)(3
    通过从市售的 3,4,5-三甲氧基苯甲醛开始,以高对映体纯度 (96% ee) 实现了一种高效且经济的合成抗肿瘤和抗炎 surinamensinol B (1) 和抗疟疾 polysphorin 类似物 2 的方法。该策略的关键步骤包括外消旋 2-[(甲氧基甲氧基)(3,4,5-三甲氧基苯基)甲基]环氧乙烷 (13) 的共催化双立体中心解动力学拆分 (HKR) 作为手性诱导步骤,然后是三信反应。手性环氧化物 14 和手性二醇 15 用于两种化合物的合成。
  • A Natural Product Inspired Tetrahydropyran Collection Yields Mitosis Modulators that Synergistically Target CSE1L and Tubulin
    作者:Tobias Voigt、Claas Gerding-Reimers、Tuyen Thi Ngoc Tran、Sabrina Bergmann、Hugo Lachance、Beate Schölermann、Andreas Brockmeyer、Petra Janning、Slava Ziegler、Herbert Waldmann
    DOI:10.1002/anie.201205728
    日期:2013.1.2
    the key step in the synthesis of tetrahydropyran derivatives. A phenotypic screen led to the identification of compounds that inhibit mitosis (as seen by the accumulation of round cells with condensed DNA and membrane blebs; see picture). These compounds were termed tubulexins as they target the CSE1L protein and the vinca alkaloid binding site of tubulin.
    聚合物结合的醛与均丙醇之间的Prins环化反应是合成四氢吡喃生物的关键步骤。通过对表型的筛选,可以鉴定出抑制有丝分裂的化合物(如带有浓缩DNA和膜泡的圆形细胞的积累所见;见图)。这些化合物被称为微管毒素,因为它们靶向CSE1L蛋白和微管蛋白的长春花生物碱结合位点。
  • Nucleophilic attack of intramolecular hydroxyl groups on electron-rich aromatics using hypervalent iodine(III) oxidation
    作者:Kayoko Hata、Hiromi Hamamoto、Yukiko Shiozaki、Simon B. Cämmerer、Yasuyuki Kita
    DOI:10.1016/j.tet.2007.02.118
    日期:2007.5
    The hypervalent iodine(III) reagent, phenyliodine bis(trifluoroacetate) (PIFA)-mediated oxidative nucleophilic substitution of electron-rich aromatics involving aromatic cation radical intermediates was utilized in the direct aromatic carbon–oxygen bond formation reaction, and a novel and simple synthetic method for chroman derivatives was developed. As an extension of this methodology, a facile access
    高价试剂(IIIFA),苯碘酸双(三氟乙酸盐)(PIFA)介导的涉及芳香族阳离子自由基中间体的富电子芳族化合物的氧化亲核取代反应被用于直接的芳族碳-氧键形成反应中,以及一种新颖而简单的合成方法开发了苯并二氢喃衍生物的方法。作为该方法的扩展,还可以轻松获得螺二烯酮衍生物
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同类化合物

(R)-3-(叔丁基)-4-(2,6-二异丙氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (2S,3R)-3-(叔丁基)-2-(二叔丁基膦基)-4-甲氧基-2,3-二氢苯并[d][1,3]氧杂磷杂戊环 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-二甲氧基-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2R,2''R,3R,3''R)-3,3''-二叔丁基-4,4''-二甲氧基-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2-氟-3-异丙氧基苯基)三氟硼酸钾 (+)-6,6'-{[(1R,3R)-1,3-二甲基-1,3基]双(氧)}双[4,8-双(叔丁基)-2,10-二甲氧基-丙二醇 麦角甾烷-6-酮,2,3,22,23-四羟基-,(2a,3a,5a,22S,23S)- 鲁前列醇 顺式6-(对甲氧基苯基)-5-己烯酸 顺式-铂戊脒碘化物 顺式-四氢-2-苯氧基-N,N,N-三甲基-2H-吡喃-3-铵碘化物 顺式-4-甲氧基苯基1-丙烯基醚 顺式-2,4,5-三甲氧基-1-丙烯基苯 顺式-1,3-二甲基-4-苯基-2-氮杂环丁酮 非那西丁杂质7 非那西丁杂质3 非那西丁杂质22 非那西丁杂质18 非那卡因 非布司他杂质37 非布司他杂质30 非布丙醇 雷诺嗪 阿达洛尔 阿达洛尔 阿莫噁酮 阿莫兰特 阿维西利 阿索卡诺 阿米维林 阿立酮 阿曲汀中间体3 阿普洛尔 阿普斯特杂质67 阿普斯特中间体 阿普斯特中间体 阿托西汀EP杂质A 阿托莫西汀杂质24 阿托莫西汀杂质10 阿托莫西汀EP杂质C 阿尼扎芬 阿利克仑中间体3 间苯胺氢氟乙酰氯 间苯二酚二缩水甘油醚 间苯二酚二异丙醇醚 间苯二酚二(2-羟乙基)醚 间苄氧基苯乙醇 间甲苯氧基乙酸肼 间甲苯氧基乙腈 间甲苯异氰酸酯