927-45-7 (7-十三醇,7-Tridecanol)

CAS号:
927-45-7
中文名称:
7-十三醇
英文名称:
7-Tridecanol
分子式:
C13H28O
分子量:
200.360824584961

7-十三醇(927-45-7)名称与标识符

名称

中文别名:
7-三癸醇;7-十三醇;
英文别名:
7-Tridecanol;tridecan-7-ol;1-hexylheptanol;Dihexylcarbinol;Di-n-hexyl-carbinol;1-Hexyl-1-heptanol;NSC 158536;CHEBI:87311;AS-76688;DB-307409;927-45-7;NSC-158536;DTXCID80161603;AKOS014482618;SCHEMBL664620;SY269080;Q27159517;DTXSID60239112;MFCD00021955;C13H28O;D93272;NSC158536;BP-29536;

标识符

InChIKey:
KWUWHKRBPALTGJ-UHFFFAOYSA-N
Inchi:
1S/C13H28O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
SMILES:
OC(CCCCCC)CCCCCC

7-十三醇(927-45-7)物化性质

实验特性

  • LogP : 4.28810
  • PSA : 20.23000
  • 折射率 : 1.4192 (estimate)
  • 沸点 : 268.11°C (estimate)
  • 熔点 : 26.15°C (estimate)
  • 闪点 : 105.5°C
  • 密度 : 0.7947 (estimate)

计算特性

  • 精确分子量 : 200.21400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 10
  • 同位素质量 : 200.214
  • 重原子数量 : 14
  • 复杂度 : 89.4
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 5.4
  • 拓扑分子极性表面积 : 20.2Ų

7-十三醇(927-45-7)合成路线

合成路线:1 步
反应条件:
参考文献:
Autoresolution of Segregated and Mixed p-n Stacks by Stereoselective Supramolecular Polymerization in Solution
Narayan, Bhawani; Bejagam, Karteek K.; Balasubramanian, Sundaram; George, Subi J., Angewandte Chemie, 2015, 54(44), 13053-13057
合成路线:1 步
反应条件:
参考文献:
A combinatorial library of lipid nanoparticles for RNA delivery to leukocytes
Ramishetti, Srinivas; Hazan-Halevy, Inbal; Palakuri, Ramesh; Chatterjee, Sushmita; Naidu Gonna, Somu; et al, Advanced Materials (Weinheim, 2020, 32(12),
合成路线:1 步
反应条件:
参考文献:
An Intramolecular Iodine-Catalyzed C(sp3)-H Oxidation as a Versatile Tool for the Synthesis of Tetrahydrofurans
Koch, Vanessa; Brase, Stefan, European Journal of Organic Chemistry, 2021, 2021(24), 3478-3483
合成路线:1 步
反应条件:
参考文献:
Novel NIR-absorbing conjugated polymers for efficient polymer solar cells: effect of alkyl chain length on device performance
Yue, Wei; Zhao, Yun; Shao, Shuyan; Tian, Hongkun; Xie, Zhiyuan; et al, Journal of Materials Chemistry, 2009, 19(15), 2199-2206
合成路线:1 步
反应条件:
参考文献:
Optical and Photophysical Properties of Indolocarbazole Derivatives
Belletete, Michel; Blouin, Nicolas; Boudreault, Pierre-Luc T.; Leclerc, Mario; Durocher, Gilles, Journal of Physical Chemistry A, 2006, 110(51), 13696-13704
合成路线:1 步
反应条件:
参考文献:
Long-Range Self-Assembly of an Electron-Deficient Hexaazatrinaphthylene with Out-of-Plane Substituents
Chen, Yi-Ru ; Zhang, Yong-Yun; Yeh, Ming-Che; Luo, Ying-Ting; Ong, Chi Wi, ChemPlusChem, 2020, 85(4), 613-618
合成路线:1 步
反应条件:
参考文献:
Preparation of ionizable cationic lipids for RNA delivery
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Synthesis and characterization of novel low-bandgap triphenylamine-based conjugated polymers with main-chain donors and pendent acceptors for organic photovoltaics
Sahu, Duryodhan; Padhy, Harihara; Patra, Dhananjaya; Huang, Jen-hsien; Chu, Chih-wei; et al, Journal of Polymer Science, 2010, 48(24), 5812-5823
合成路线:1 步
反应条件:
参考文献:
Synthesis and applications of 2,7-carbazole-based conjugated main-chain copolymers containing electron deficient bithiazole units for organic solar cells
Patra, Dhananjaya; Sahu, Duryodhan; Padhy, Harihara; Kekuda, Dhananjay; Chu, Chih-Wei; et al, Journal of Polymer Science, 2010, 48(23), 5479-5489
合成路线:1 步
反应条件:
参考文献:
Cation Effect on the Binary and Ternary Phase Behaviors of Double-Tailed Methanesulfonate Amphiphiles
Ontiveros, Jesus F. ; Hong, Bing; Aramaki, Kenji; Pierlot, Christel; Aubry, Jean-Marie; et al, Journal of Surfactants and Detergents, 2021, 24(3), 401-410
合成路线:1 步
反应条件:
参考文献:
Derivatives of tridecan-X-ones (X = 2-7): Synthesis and spectral data
Gibka, Julia; Glinski, Marek, Zeszyty Naukowe - Politechnika Lodzka, 2004, 68, 23-31
合成路线:1 步
反应条件:
参考文献:
Preparation of ionizable cationic lipids for RNA delivery
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Ionic and organometallic-catalyzed organosilane reductions
Larson, Gerald L.; Fry, James L., Organic Reactions (Hoboken, 2008, 71, 1-737
合成路线:1 步
反应条件:
参考文献:
Acceleration of the reduction of aldehydes and ketones using Mn(dpm)3 catalyst and phenylsilane in the presence of dioxygen
Magnus, P.; Fielding, M. R., Tetrahedron Letters, 2001, 42(38), 6633-6636
合成路线:1 步
反应条件:
参考文献:
Coupled Metabolic Cycles Allow Out-of-Equilibrium Autopoietic Vesicle Replication
Engwerda, Anthonius H. J. ; Southworth, Josh; Lebedeva, Maria A.; Scanes, Robert J. H.; Kukura, Philipp; et al, Angewandte Chemie, 2020, 59(46), 20361-20366
合成路线:1 步
反应条件:
参考文献:
Stabilization of long-chain intermediates in solution. Tridecyl radicals and cations
Teodorovic, Aleksandar V.; Badjuk, Dalibor M.; Stevanovic, Nenad; Pavlovic, Radoslav Z., Journal of Molecular Structure, 2015, 1083, 357-363
合成路线:1 步
反应条件:
参考文献:
Synthesis and odor characteristics of isomeric aliphatic tridecanones and their derivatives
Gibka, Julia; Gora, Jozef; Wojcicka, Anna, Zeszyty Naukowe - Politechnika Lodzka, 2002, 66, 85-90
合成路线:1 步
反应条件:
参考文献:
Catalytic hydrogen transfer over magnesia, XV. Preliminary studies of active centers of catalysts
Glinski, Marek, Reaction Kinetics and Catalysis Letters, 2001, 72(1), 133-137
合成路线:1 步
反应条件:
参考文献:
Organoboranes. 41. Reaction of organoboranes with (dichloromethyl)lithium. Scope and limitations. Synthesis of homologated primary and secondary alcohols
Brown, Herbert C.; Imai, Toshiro; Perumal, P. Thirumali; Singaram, Bakthan, Journal of Organic Chemistry, 1985, 50(21), 4032-6

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