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辛基邻苯二甲酸正丁酯 | 84-78-6

中文名称
辛基邻苯二甲酸正丁酯
中文别名
邻苯二甲酸正丁辛酯;邻苯二甲酸正丁异辛酯
英文名称
1,2-benzenedicarboxylic acid, butyl octyl ester
英文别名
butyl octyl phthalate;butyl octyl ester 1,2-benzenedicarboxylic acid;1-O-butyl 2-O-octyl benzene-1,2-dicarboxylate
辛基邻苯二甲酸正丁酯化学式
CAS
84-78-6
化学式
C20H30O4
mdl
——
分子量
334.456
InChiKey
MURWRBWZIMXKGC-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

物化性质

  • 沸点:
    377.1±10.0 °C(Predicted)
  • 密度:
    1.012±0.06 g/cm3(Predicted)
  • 闪点:
    370
  • LogP:
    6.790 (est)
  • 保留指数:
    2317;2317

计算性质

  • 辛醇/水分配系数(LogP):
    6.9
  • 重原子数:
    24
  • 可旋转键数:
    14
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.6
  • 拓扑面积:
    52.6
  • 氢给体数:
    0
  • 氢受体数:
    4

安全信息

  • TSCA:
    TSCA listed
  • 海关编码:
    2917349000
  • 危险性防范说明:
    P273,P332+P313,P501
  • 危险性描述:
    H316,H413

文献信息

  • Process for the preparation of olmesartan medoxomil
    申请人:KRKA, tovarna zdravil, d.d., Novo mesto
    公开号:EP1816131A1
    公开(公告)日:2007-08-08
    The present invenion relates to an improved process for the manufacture of olmesartan and pharmaceutically acceptable salts and esters thereof as an active ingredient of a medicament for the treatment of hypertension and related diseases and conditions.
    本发明涉及一种改进的工艺,用于制造奥美沙坦及其药用可接受的盐和酯,作为治疗高血压及相关疾病和症状的药物的活性成分。
  • PROCESS FOR THE PREPARATION OF OLMESARTAN MEDOXOMIL
    申请人:Zupancic Silvo
    公开号:US20090131680A1
    公开(公告)日:2009-05-21
    The present invention relates to an improved process for the manufacture of olmesartan and pharmaceutically acceptable salts and esters thereof as an active ingredient of a medicament for the treatment of hypertension and related diseases and conditions.
    本发明涉及一种改进的工艺,用于制造奥美沙坦及其药用可接受的盐和酯,作为治疗高血压和相关疾病和症状的药物的活性成分。
  • Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester
    申请人:Kawahara Yasuyuki
    公开号:US20050038283A1
    公开(公告)日:2005-02-17
    A diester represented by the formula wherein A represents a cyclohexane ring, cyclohexene ring or benzene ring, X is H or methyl group, R X and R Y are the same or different and each is C3-C18 branched-chain alkyl group, C1-C18 straight-chain alkyl group, C2-C18 straight-chain alkenyl or C3-C18 cycloalkyl, provided that when A is a benzene ring, R X and R Y are different from each other and —COOR X and —COOR Y are attached to two adjacent carbon atoms of the benzene ring, and having the following properties: 1) a total acid number of 0.05 mgKOH/g or less, 2) a sulfated ash content of 10 ppm or less, 3) a sulfur content of 20 ppm or less, 4) a phosphorus content of 20 ppm or less, 5) a peroxide value of 1.0 meq/kg or less, 6) a carbonyl value of 10 or less; 7) a volume resistivity of 1×10 11 Ω·cm or more, 8) a hydroxyl value of 3 mgKOH/g or less, and 9) a water content of 100 ppm or less, a process for preparing the same and a refrigerator lubricating oil comprising the diester.
    由以下公式表示的二酯,其中A代表环己烷环、环己烯环或苯环,X为H或甲基基团,RX和RY相同或不同,且每个均为C3-C18支链烷基基团、C1-C18直链烷基基团、C2-C18直链烯基或C3-C18环烷基,前提是当A为苯环时,RX和RY彼此不同,且—COORX和—COORY连接到苯环的两个相邻碳原子,并具有以下特性:1)总酸值为0.05 mgKOH/g或更低,2)硫酸盐灰分含量为10 ppm或更低,3)含量为20 ppm或更低,4)含量为20 ppm或更低,5)过氧化值为1.0 meq/kg或更低,6)羰基值为10或更低;7)体积电阻率为1×1011Ω·cm或更高,8)羟值为3 mgKOH/g或更低,9)含量为100 ppm或更低,制备该二酯的方法以及包含该二酯的制冷剂润滑油。
  • [EN] ISOLATED INTERMEDIATE OF DAPAGLIFLOZIN, PROCESS FOR THE PREPARATION OF ISOLATED INTERMEDIATE OF DAPAGLIFLOZIN, PROCESS FOR THE PREPARATION OF DAPAGLIFLOZIN<br/>[FR] INTERMÉDIAIRE ISOLÉ DE DAPAGLIFLOZINE, PROCÉDÉ DE PRÉPARATION D'UN INTERMÉDIAIRE ISOLÉ DE DAPAGLIFLOZINE, PROCÉDÉ DE PRÉPARATION DE DAPAGLIFLOZINE
    申请人:DR REDDY'S LABORATORIES LTD
    公开号:WO2017042683A1
    公开(公告)日:2017-03-16
    Aspects of the present invention relates to an isolated intermediate of Dapagliflozin (Formula III) and its preparation, process for the preparation of Dapagliflozin, process for the preparation of crystalline propane-1,2,3-triol solvate of dapagliflozin, process for the preparation of L-proline complex of Dapagliflozin, solid premix of dapagliflozin with the polymer selected from the group consisting of eudragit, syloid, MCC Avicel PH 102 (1:1) and MCC Avicel PH 102 (1:2).
    本发明的一些方面涉及达帕格列净(Formula III)的分离中间体及其制备,达帕格列净的制备过程,达帕格列净结晶丙烷-1,2,3-三醇溶剂络合物的制备过程,达帕格列净L-脯氨酸络合物的制备过程,以及从Eudragit、Syloid、MCC Avicel PH 102(1:1)和MCC Avicel PH 102(1:2)组成的聚合物中选择的固体达帕格列净预混物的制备过程。
  • Modified silane compounds
    申请人:——
    公开号:US20040087803A1
    公开(公告)日:2004-05-06
    This invention relates to the reversible protection of hydroxy-silane functional groups by acid cleavable protecting groups. The development of reversible protecting groups greatly enhances the current utility of silanes while introducing further novel applications. For instance, reversibly protected silanes are of particular value in applications where room temperature cure and/or adhesion is of value, such as coatings, high resolution imaging, caulks, adhesives, sealents, gaskets, and silicones. Reversibly protected silanes can also be beneficially used in reticulating agents, and in sizing agents, tires, and release coatings. The incorporation of reversibly protected silanes into coating resins is of particular value. The reversibly protected silane can be incorporated into the coating resin by polymerizing a monomer containing the reversibly protected silane into the resin or by post-addition into the coating formulation. The reversibly protected silane remains protected under basic conditions, such as in a coating formulation that contains a volatile base, for instance ammonium hydroxide. However, deprotection occurs under mildly acidic conditions. Thus, as a coating formulation containing a volatile base dries the volatile base evaporates and deprotection occurs. This allows for controlled room temperature crosslinking to occur with hydroxy-functionalized polymers. The present invention more specifically discloses a modified silane compound consisting of a silane having 3 or 4 acetal moieties bonded thereto.
    本发明涉及通过酸可解保护基对羟基硅烷官能团进行可逆保护。可逆保护基的开发极大地增强了硅烷的当前实用性,同时引入了进一步的新应用。例如,可逆保护的硅烷在需要室温固化和/或粘附的应用中具有特殊价值,如涂料、高分辨率成像、密封胶、粘合剂、密封剂、垫片和硅烷。可逆保护的硅烷也可以有益地用于交联剂、浸渍剂、轮胎和脱模涂层。将可逆保护的硅烷纳入涂层树脂中具有特殊价值。可逆保护的硅烷可以通过将含有可逆保护的硅烷的单体聚合到树脂中或通过后加入涂料配方中来纳入涂层树脂中。在碱性条件下(例如含有挥发性碱的涂料配方中),可逆保护的硅烷保持受保护状态。然而,在温和酸性条件下脱保护。因此,当含有挥发性碱的涂料配方干燥时,挥发性碱蒸发并发生脱保护。这允许与羟基化聚合物发生可控的室温交联。本发明更具体地揭示了一种改性硅烷化合物,其由具有3或4个缩醛基团的硅烷组成。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S,S)-邻甲苯基-DIPAMP (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(-)-4,12-双(二苯基膦基)[2.2]对环芳烷(1,5环辛二烯)铑(I)四氟硼酸盐 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(4-叔丁基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(3-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-4,7-双(3,5-二-叔丁基苯基)膦基-7“-[(吡啶-2-基甲基)氨基]-2,2”,3,3'-四氢1,1'-螺二茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (R)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4S,4''S)-2,2''-亚环戊基双[4,5-二氢-4-(苯甲基)恶唑] (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (3aR,6aS)-5-氧代六氢环戊基[c]吡咯-2(1H)-羧酸酯 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[((1S,2S)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1S,2S,3R,5R)-2-(苄氧基)甲基-6-氧杂双环[3.1.0]己-3-醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (1-(2,6-二氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙蒿油 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫-d6 龙胆紫