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苯磺酸辛酯 | 13149-99-0

中文名称
苯磺酸辛酯
中文别名
——
英文名称
n-octyl benzenesulfonate
英文别名
Benzolsulfonsaeure-octylester;Octyl-benzolsulfonat;Octyl benzenesulfonate
苯磺酸辛酯化学式
CAS
13149-99-0
化学式
C14H22O3S
mdl
——
分子量
270.393
InChiKey
GVMDZMPQYYHMSV-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):
    4.6
  • 重原子数:
    18
  • 可旋转键数:
    9
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.57
  • 拓扑面积:
    51.8
  • 氢给体数:
    0
  • 氢受体数:
    3

SDS

SDS:d9b7602cab6068aff9087fce722e0709
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反应信息

  • 作为反应物:
    描述:
    苯磺酸辛酯 、 t-butyl lithioacetate 在 对甲苯磺酸 作用下, 生成 正癸酸
    参考文献:
    名称:
    Bos, Wil; Pabon, Henk J. J., Recueil des Travaux Chimiques des Pays-Bas, 1980, vol. 99, # 4, p. 141 - 142
    摘要:
    DOI:
  • 作为产物:
    描述:
    辛醇苯磺酰氯 在 cesium fluoride supported on Celite 作用下, 反应 1.5h, 以89%的产率得到苯磺酸辛酯
    参考文献:
    名称:
    CsF–Celite as an efficient heterogeneous catalyst for sulfonylation and desulfonylation of heteroatoms
    摘要:
    CsF-Celite is found to be as an efficient reusable catalyst for sulfonylation and desulfonylation of heteroatoms. Sulfonamides and N-acylsulfonamides deprotect efficiently in the presence of CsF-Celite under solvent free conditions to give the free amines or amides in good to excellent yields. (C) 2011 Elsevier B.V. All rights reserved.
    DOI:
    10.1016/j.catcom.2011.04.005
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文献信息

  • MANUFACTURING METHOD FOR POLYCARBONATE
    申请人:——
    公开号:US20020037838A1
    公开(公告)日:2002-03-28
    A method for manufacturing polycarbonate by melt-polycondensing bisphenol and carbonic acid diester uses as catalyst an alkali metal compound and/or alkaline earth metal compound (a). The catalyst is added to the bisphenol prior to the melt polycondensation, in an effective amount, i.e., the amount of alkali metal compound and/or alkaline earth metal compound (a) that acts effectively as a catalyst, is contained in said bisphenol, and is controlled to have the same catalytic activity as 1×10 −8 to 1×10 −6 mole of bisphenol disodium salt per mole of pure bisphenol A. The method conducts the reaction efficiently from the initial stage in a stable manner to obtain polycarbonate with good color, good heat stability and color stability during molding and the like.
    一种通过熔融缩聚双酚和碳酸二酯制造聚碳酸酯的方法,使用碱金属化合物和/或碱土金属化合物(a)作为催化剂。催化剂在熔融缩聚之前被添加到双酚中,添加的量是有效的,即碱金属化合物和/或碱土金属化合物(a)的量作为催化剂是包含在双酚中的,并且被控制为具有与1×10^-8至1×10^-6摩尔双酚二钠盐相同的催化活性。该方法从初始阶段开始有效地进行反应,稳定地获得具有良好颜色、良好热稳定性和成型过程中颜色稳定性的聚碳酸酯。
  • 5-ALA ester formulations and use thereof
    申请人:UNIVERSITE DE GENEVE
    公开号:EP2394642A1
    公开(公告)日:2011-12-14
    The present invention is directed to particles comprising 5-ALA esters salts, formulation thereof, related methods of preparation and methods of use thereof. In particular, the invention relates to particles comprising 5-ALA esters salts, formulation thereof useful in the treatment of a cancer and/or the diagnosis of a cancer cell such as in photodynamic therapy or photodynamic diagnosis.
    本发明涉及包含5-ALA酯盐的颗粒,其配方,相关的制备方法以及使用方法。具体而言,本发明涉及包含5-ALA酯盐的颗粒,其配方在癌症治疗和/或癌细胞诊断中有用,例如在光动力疗法或光动力诊断中。
  • Reaction of Lithium Diethylamide with an Alkyl Bromide and Alkyl Benzenesulfonate: Origins of Alkylation, Elimination, and Sulfonation
    作者:Lekha Gupta、Antonio Ramírez、David B. Collum
    DOI:10.1021/jo101505x
    日期:2010.12.17
    examine reactions of lithium diethylamide in tetrahydrofuran (THF) with n-dodecyl bromide and n-octyl benzenesulfonate. The alkyl bromide undergoes competitive SN2 substitution and E2 elimination in proportions independent of all concentrations except for a minor medium effect. Rate studies show that both reactions occur via trisolvated-monomer-based transition structures. The alkyl benzenesulfonate undergoes
    结合使用 NMR、动力学和计算方法来检查二乙胺锂在四氢呋喃 (THF) 中与正十二烷基溴和正辛基苯磺酸盐的反应。烷基溴以与所有浓度无关的比例进行竞争性 S N 2 取代和 E2 消除,除了轻微的中等影响。速率研究表明,这两种反应都是通过基于三溶剂化单体的过渡结构发生的。烷基苯磺酸盐经历竞争性 S N 2 取代(次要)和 N-磺化(主要),在低 THF 浓度下促进 N-磺化。在S Ñ2 取代显示通过二溶剂化单体进行,计算表明涉及环状过渡结构。主要的 N-磺化遵循基于二溶剂化二聚体的过渡结构,计算表明为双环 [3.1.1] 形式。两个反应的不同 THF 和二乙胺锂顺序解释了观察到的浓度依赖性化学选择性。
  • Plastic lens
    申请人:——
    公开号:US20030055200A1
    公开(公告)日:2003-03-20
    A plastic lens, an optical molded article, a film or a sheet formed of a copolycarbonate resin comprising a structural unit (I) of the following general formula (I), 1 and a structural unit (II) of the following formula (II), 2 the structural unit (I) having a molar amount percentage of 15 to 85% on the basis of the total amount of the structural units (I) and (II). According to the present invention, there are provided a plastic lens, an optical molded article, and the like, which are excellent in physical properties such as transparency, thermal stability and impact resistance and are excellent in optical properties such as a balance between a refractive index and an Abbe's number and a photoelasticity constant.
    本发明提供了一种塑料镜片、光学模制品、膜或片,其由包括下列通式(I)的结构单元(I)和下列通式(II)的结构单元(II)组成的共聚碳酸酯树脂形成,其中结构单元(I)在结构单元(I)和结构单元(II)的总量的基础上具有15至85%的摩尔量百分比。根据本发明,提供了一种塑料镜片、光学模制品等,其在物理性质(如透明度、热稳定性和抗冲击性)和光学性质(如折射率和阿贝数之间的平衡以及光弹常数)方面均表现出优异的特性。
  • OPTICAL FILM
    申请人:Motoyoshi Tetsuya
    公开号:US20110288261A1
    公开(公告)日:2011-11-24
    The object of this invention is to provide an optical film formed of a copolycarbonate having a desired chromatic dispersion and low photoelasticity and having excellent melt processability. The optical film comprises a copolycarbonate composed of 25 to 90 mol % of unit (A) of the following formula, wherein each of R 1 and R 2 is independently a hydrogen atom, a hydrocarbon group having 1 to 10 carbon atoms or a halogen atom, each of R 3 and R 4 is independently a hydrocarbon group having 1 to 10 carbon atoms, each of m and n is independently an integer of 0 to 4, and each of p and q is independently an integer of 0 or more, and 10 to 75 mol % of unit (B) of the following formula, wherein R a is a monocyclic or polycyclic alicyclic hydrocarbon group having 4 to 20 carbon atoms, the alicyclic hydrocarbon group may contain a hetero atom or may have a bridge structure, and q is 0 or 1, the optical film satisfying the following expression (1), R (450)< R (550)< R (650)  (1) wherein R(450), R(550) and R(650) are in-plane retardation values of the film at wavelengths of 450 nm, 550 nm and 650 nm.
    本发明的目的是提供一种光学薄膜,其由具有所需色散和低光弹性以及优异的熔融加工性的共聚碳酸酯形成。该光学薄膜包括由以下式中25至90摩尔%的(A)单元组成的共聚碳酸酯,其中R1和R2各自独立地为氢原子,具有1至10个碳原子的烃基或卤素原子,R3和R4各自独立地为具有1至10个碳原子的烃基,m和n各自独立地为0至4的整数,p和q各自独立地为0或更多的整数,并且由以下式中10至75摩尔%的(B)单元组成,其中Ra是具有4至20个碳原子的单环或多环脂环烃基,脂环烃基可以含有杂原子或具有桥式结构,q为0或1,该光学薄膜满足以下式(1),R(450)<="" div="">
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