6-甲基百里酚 | 35786-94-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 6-甲基百里酚
• 英文名称: 4-Methyl-thymol
• 英文别名: 2-isopropyl-4,5-dimethylphenol；4,5-Dimethyl-2-isopropyl-phenol；4,5-dimethyl-2-propan-2-ylphenol
• CAS: 35786-94-8
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: RFRYAUSWHSKOIY-UHFFFAOYSA-N

物化性质

• 熔点：
  69-70 °C
• 沸点：
  250-250.5 °C(Press: 745 Torr)
• 密度：
  0.963±0.06 g/cm3(Predicted)
• LogP：
  4.06 at 25℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-甲基百里酚 在 硝酸 、 溶剂黄146 作用下， 生成 6-Isopropyl-3,4-dimethyl-2-nitro-phenol
  参考文献：
  名称：

  Royer et al., Bulletin de la Societe Chimique de France, 1957, p. 304,306

  摘要：

  DOI：
• 作为产物：
  描述：

  2-异丙基-5-甲基茴香醚 在 氢氧化钾 、 吡啶盐酸盐 、 一水合肼 、 三氯氧磷 、 二乙二醇 作用下， 反应 2.0h， 生成 6-甲基百里酚
  参考文献：
  名称：

  Royer et al., Bulletin de la Societe Chimique de France, 1957, p. 304,306

  摘要：

  DOI：

文献信息

• [EN] NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME<br/>[FR] NOUVEAUX SUPPORTS DE PRÉ-CATALYSEURS POUR RÉACTIONS À COUPLAGE MUTUEL, ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：UNIV YALE

  公开号：WO2016057600A1

  公开（公告）日：2016-04-14

  The present invention provides novel transition-metal precatalysts that are useful in preparing active coupling catalysts. In certain embodiments, the precatalysts of the invention are air-stable and moisture-stable. The present invention further provides methods of making and using the precatalysts of the invention.

  本发明提供了新型过渡金属前催化剂，可用于制备活性偶联催化剂。在某些实施例中，本发明的前催化剂具有空气稳定性和湿度稳定性。本发明还提供了制备和使用本发明的前催化剂的方法。
• PROCESS FOR MAKING 3-PENTENENITRILE BY HYDROCYANATION OF BUTADIENE
  申请人：Foo Thomas

  公开号：US20080015378A1

  公开（公告）日：2008-01-17

  The invention provides a continuous process for the production of 3-pentenenitrile comprising: (a) contacting, in a reaction zone, a hydrogen cyanide-containing feed, a butadiene-containing feed, and a catalyst precursor composition, wherein the catalyst precursor composition comprises a zero-valent nickel and at least one bidentate phosphite ligand selected from a member of the group represented by Structures I and II, in which all like reference characters have the same meaning, except as further explicitly limited: wherein R 1 and R 5 are independently selected from the group consisting of C 1 to C 5 hydrocarbyl, and R 2 , R 3 , R 4 , R 6 , R 7 and R 8 are independently selected from the group consisting of H and C 1 to C 4 hydrocarbyl; and (b) maintaining a residence time in the reaction zone sufficient to convert about 95% or more of the hydrogen cyanide and to produce a reaction mixture comprising 3-pentenenitrile and 2-methyl-3-butenenitrile, wherein the 2-methyl-3-butenenitrile concentration is maintained below about 15 weight percent of the total mass of the reaction mixture.

  该发明提供了一种连续生产3-戊烯腈的工艺，包括：(a)在反应区域中接触含氢氰酸的原料、含丁二烯的原料和催化剂前体组合物，其中催化剂前体组合物包括零价镍和至少一种双齿膦配体，所述双齿膦配体选自由结构I和II表示的一组成员，其中所有相似的参考字符具有相同的含义，除非进一步明确限定：其中R1和R5独立地选自由C1到C5烃基组成的群，而R2、R3、R4、R6、R7和R8独立地选自由H和C1到C4烃基组成的群；(b)在反应区域内保持足够的停留时间，以将大约95%或更多的氢氰酸转化并产生包括3-戊烯腈和2-甲基-3-丁烯腈的反应混合物，其中2-甲基-3-丁烯腈的浓度保持在反应混合物的总质量的约15%以下。
• PROCESS FOR MAKING AND REFINING 3-PENTENENITRILE, AND FOR REFINING 2-METHYL-3-BUTENENITRILE
  申请人：FOO THOMAS

  公开号：US20090182163A1

  公开（公告）日：2009-07-16

  The invention provides an integrated, continuous process for the production of 3-pentenenitrile, the refining of 3-pentenenitrile, and the refining of 2-methyl-3-butenenitrile, the process comprising: (a) contacting, in a reaction zone, a hydrogen cyanide-containing feed, a butadiene-containing feed, and a catalyst composition, wherein the catalyst composition comprises a zero-valent nickel and at least one bidentate phosphorus-containing ligand selected from the group consisting of a phosphite, a phosphonite, a phosphinite, a phosphine, a mixed phosphorus-containing ligand, and combination thereof; (b) maintaining a residence time in the reaction zone sufficient to convert about 95% or more of the hydrogen cyanide and to produce a reaction mixture comprising 3-pentenenitrile and 2-methyl-3-butenenitrile, wherein the 2-methyl-3-butenenitrile concentration is maintained below about 15 weight percent of the total mass of the reaction mixture; (c) distilling the reaction mixture to obtain a first stream comprising 1,3-butadiene, a second stream comprising 3-pentenenitrile, 2-methyl-3-butenenitrile, (Z)-2-methyl-2-butenenitrile, and optionally 1,3-butadiene, and a third stream comprising the catalyst composition; (d) distilling the second stream to obtain a fourth stream comprising 1,3-butadiene, a fifth stream comprising 2-methyl-3-butenenitrile, (Z)-2-methyl-2-butenenitrile, and optionally 1,3-butadiene, and a sixth stream comprising 3-pentenenitrile; and (e) distilling the fifth stream to obtain a seventh stream comprising 1,3-butadiene, an eighth stream comprising (Z)-2-methyl-2-butenenitrile, and a ninth stream comprising 2-methyl-3-butenenitrile.

  该发明提供了一种用于生产3-戊烯腈、精制3-戊烯腈和精制2-甲基-3-丁烯腈的集成连续工艺，该工艺包括：(a)在反应区域中接触含氰化氢的原料、含丁二烯的原料和催化剂组合，其中催化剂组合包括零价镍和至少一种双齿磷含配体，所述双齿磷含配体选自磷酸酯、膦酸酯、膦酸酯、膦、混合磷含配体及其组合物；(b)在反应区域内保持足够的停留时间，使大约95%或更多的氰化氢转化并产生包含3-戊烯腈和2-甲基-3-丁烯腈的反应混合物，其中2-甲基-3-丁烯腈浓度保持在反应混合物总质量的约15%以下；(c)蒸馏反应混合物以获得包含1,3-丁二烯的第一流、包含3-戊烯腈、2-甲基-3-丁烯腈、(Z)-2-甲基-2-丁烯腈和可选的1,3-丁二烯的第二流，以及包含催化剂组合的第三流；(d)蒸馏第二流以获得包含1,3-丁二烯的第四流、包含2-甲基-3-丁烯腈、(Z)-2-甲基-2-丁烯腈和可选的1,3-丁二烯的第五流，以及包含3-戊烯腈的第六流；(e)蒸馏第五流以获得包含1,3-丁二烯的第七流、包含(Z)-2-甲基-2-丁烯腈的第八流，以及包含2-甲基-3-丁烯腈的第九流。
• HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES
  申请人：FOO THOMAS

  公开号：US20080015381A1

  公开（公告）日：2008-01-17

  The invention provides a hydrocyanation process for the production of adiponitrile and other dinitriles having six carbon atoms, the process comprising: a) forming a reaction mixture in the presence of at least one Lewis acid, said reaction mixture comprising ethylenically unsaturated nitrites having five carbon atoms, hydrogen cyanide, and a catalyst precursor composition, by continuously feeding ethylenically unsaturated nitrites, hydrogen cyanide, and a catalyst precursor composition; b) controlling X and Z, wherein X is the overall feed molar ratio of 2-pentenenitriles to all unsaturated nitriles and Z is the overall feed molar ratio of hydrogen cyanide to all unsaturated nitrites, by selecting a value for X in the range from about 0.001 to about 0.5, and a value for Z in the range from about 0.5/1 to about 0.99/1, such that the value of quotient Q, wherein Q = X [ ( moles   3  PN + 4  PN   in   the   feed ) ( moles   all   unsaturated   nitriles   in   the   feed ) ] - Z is in the range from about 0.2 to about 10, wherein 3PN is 3-pentenenitriles and 4PN is 4-pentenenitrile; and c) withdrawing a reaction product mixture comprising adiponitrile; wherein the ratio of the concentration of 2-pentenenitriles to the concentration of 3-pentenenitriles in the reaction mixture is from about 0.2/1 to about 10/1; wherein the catalyst precursor composition comprises a zero-valent nickel and at least one bidentate phosphite ligand; and wherein the bidentate phosphite ligand is selected from a member of the group represented by Formulas I and 11 as described herein.

  该发明提供了一种水氰化过程，用于生产己二腈和其他具有六个碳原子的二腈，该过程包括： a) 在至少一种Lewis酸的存在下形成反应混合物，所述反应混合物包括具有五个碳原子的乙烯基未饱和亚硝酸酯，氰化氢和催化剂前体组成物，通过持续进料乙烯基未饱和亚硝酸酯，氰化氢和催化剂前体组成物； b) 控制X和Z，其中X是2-戊烯亚硝酸酯对所有未饱和亚硝酸酯的总进料摩尔比，Z是氰化氢对所有未饱和亚硝酸酯的总进料摩尔比，通过选择X值在约0.001至约0.5范围内的值，Z值在约0.5/1至约0.99/1范围内的值，使商数Q的值在约0.2至约10范围内，其中Q=X[(进料中的摩尔数3PN+4PN)(进料中的所有未饱和亚硝酸酯的摩尔数)]-Z； c) 撤回包括己二腈的反应产物混合物； 其中反应混合物中2-戊烯亚硝酸酯与3-戊烯亚硝酸酯的浓度比在约0.2/1至约10/1之间； 其中催化剂前体组成物包括零价镍和至少一种双齿膦酸酯配体； 双齿膦酸酯配体从以下描述的I和11式所代表的组中选择。
• HYDROCYANATION OF PENTENENITRILES
  申请人：Foo Thomas

  公开号：US20090182164A1

  公开（公告）日：2009-07-16

  The invention provides a hydrocyanation process to produce adiponitrile and other dinitriles having six carbon atoms, in the presence of catalyst composition comprising a zero-valent nickel and at least one bidentate phosphorus-containing ligand wherein the bidentate phosphorus-containing ligand gives acceptable results according to at least one protocol of the 2-Pentenenitrile Hydrocyanation Test Method.

  本发明提供了一种氢氰化工艺，用于在包含零价镍和至少一种双齿含磷配体的催化剂组合物存在下生产己二腈和其他具有六个碳原子的二腈，其中所述双齿含磷配体根据至少一种2-戊烯腈氢氰化测试方法的规程给出可接受的结果。