2-溴-3',4'-二甲基苯丁酮 | 65936-97-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-溴-3',4'-二甲基苯丁酮
• 英文名称: 2-bromo-1-(3,4-dimethyl-phenyl)-butan-1-one
• 英文别名: α-Brom-3.4-dimethyl-butyrophenon；1.2-Dimethyl-4-(α-brom-butyryl)-benzol；2-Brom-1-(3,4-dimethyl-phenyl)-butan-1-on；2-Bromo-3-4-dimethylbutyrophenone；2-bromo-1-(3,4-dimethylphenyl)butan-1-one
• CAS: 65936-97-2
• 化学式: C₁₂H₁₅BrO
• 分子量: 255.155
• InChiKey: BILZZVNIKBBDOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-溴丁酰溴 、 邻二甲苯 在 二硫化碳 、 三氯化铝 作用下， 生成 2-溴-3',4'-二甲基苯丁酮
  参考文献：
  名称：

  Kunckell, Chemisches Zentralblatt, 1912, vol. 83, # II, p. 116

  摘要：

  DOI：

文献信息

• Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins
  申请人：——

  公开号：US20040260107A1

  公开（公告）日：2004-12-23

  Organometallic transition metal compounds of the formula (I) where M 1 is an element of group 3, 4, 5 or 6 of the Periodic Table of the Elements or the lanthanides; X are identical or different and are each halogen, hydrogen, C 1 -C 20 -alkyl, C 2 -C 20 -alkenyl, C 6 -C 22 -aryl, alkylaryl or arylalkyl having from 1 to 10 carbon atoms in the alkyl part and from 6 to 22 carbon atoms in the aryl part, —OR 5 or —NR 5 R 6 , where two radicals X may also be joined to one another or two radicals X may together form a substituted or unsubstituted diene ligand, in particular a 1,3-diene ligand; where R 5 and R 6 are each C 1 -C 10 -alkyl, C 6 -C 15 -aryl, alkylaryl, arylalkyl, fluoroalkyl or fluoroaryl each having from 1 to 10 carbon atoms in the alkyl radical and from 6 to 22 carbon atoms in the aryl radical; n is a natural number from 1 to 4 which is equal to the oxidation number of M 1 minus 2; R 1 is a C 2 -C 40 radical which is branched in the &agr; position; R 2 is hydrogen or a C 1 -C 40 radical which may be branched or unbranched in the &agr; position; R 3 , R 3a and R 3b are identical or different and are each hydrogen or a C 1 -C 40 radical, where at least one of the radicals R 3 , R 3a , R 3b is not hydrogen; R 4 is a substituted or unsubstituted C 6 -C 40 -aryl radical or C 2 -C 40 -heteroaromatic radical containing at least one heteroatom selected from the group consisting of O, N, S and P; T is a divalent C 1 -C 40 group which together with the cyclopen tadienyl ring forms a further saturated or unsaturated ring system having a ring size of from 5 to 12 atoms, where T may contain the heteroatoms Si, Ge, N, P, O or S withing the ring system fused onto the cyclopentadienyl ring; and Z is a bridge consisting of a divalent atom or a divalent group, can be used in catalyst systems for preparing polyolefins by polymerization or copolymerization of at least one olefin. Biscyclopentadienyl ligand systems which have such a substitution pattern and can be used for preparing these organometallic transition metal compounds are also provided. 1

  式(I)的有机金属过渡金属化合物中，M1是元素周期表元素的3、4、5或6族元素或镧系元素；X是相同或不同的卤素、氢、C1-C20烷基、C2-C20烯基、C6-C22芳基、烷基芳基或芳基烷基，其中烷基部分含有1至10个碳原子，芳基部分含有6至22个碳原子，或者是—OR5或—NR5R6，其中两个X基团也可以连接在一起，或两个X基团可以共同形成取代或未取代的二烯配体，特别是1,3-二烯配体；其中R5和R6分别是C1-C10烷基、C6-C15芳基、烷基芳基、芳基烷基、氟烷基或氟芳基，烷基基团含有1至10个碳原子，芳基基团含有6至22个碳原子；n是1至4的自然数，等于M1的氧化数减2；R1是在α位分支的C2-C40基团；R2是氢或α位可能分支或未分支的C1-C40基团；R3、R3a和R3b相同或不同，分别是氢或C1-C40基团，其中至少一个基团R3、R3a、R3b不是氢；R4是含有至少一个来自O、N、S和P的杂原子的取代或未取代的C6-C40芳基基团或C2-C40杂芳基基团；T是一个二价的C1-C40基团，它与环戊二烯基环共同形成一个有5至12个原子的进一步饱和或不饱和环系统，其中T可能在环上融合了Si、Ge、N、P、O或S等杂原子；Z是由一个二价原子或二价基团构成的桥，可用于催化剂体系，用于聚合或共聚至少一种烯烃制备聚烯烃。还提供了具有这种取代模式并可用于制备这些有机金属过渡金属化合物的双环戊二烯基配体系统。
• ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS
  申请人：Basell Polyolefine GmbH

  公开号：EP1455938B1

  公开（公告）日：2011-01-12
• US7109278B2
  申请人：——

  公开号：US7109278B2

  公开（公告）日：2006-09-19
• [EN] ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS<br/>[FR] COMPOSE METALLIQUE DE TRANSITION ORGANOMETALLIQUE, SYSTEME DE LIGANDS BISCYCLOPENTADIENYLE, SYSTEME CATALYSEUR ET PREPARATION DE POLYOLEFINES
  申请人：BASELL POLYOLEFINE GMBH

  公开号：WO2003045551A1

  公开（公告）日：2003-06-05

  Organometallic transition metal compounds of the formula (I) where M1 is an element of group 3, 4, 5 or 6 of the Periodic Table of the Elements or the lanthanides; X are identical or different and are each halogen, hydrogen,C¿1?-C20-alkyl, C2-C20-alkenyl, C6-C22-aryl, alkylaryl or arylalkyl having from 1 to 10 carbon atoms in the alkyl part and from 6 to 22 carbon atoms in the aryl part, -OR?5 or -NR5R6¿, where two radicals X may also be joined to one another or two radicals X may together form a substituted or unsubstituted diene ligand, in particular a 1,3-diene ligand; where R?5 and R6¿ are each C¿1?-C10-alkyl, C6-C15-aryl, alkylaryl, arylalkyl, fluoroalkyl or fluoroaryl each having from 1 to 10 carbon atoms in the alkyl radical and from 6 to 22 carbon atoms in the aryl radical; n is a natural number from 1 to 4 which is equal to the oxidation number of M?1¿ minus 2; R1 is a C¿2?-C40 radical which is branched in the α position; R?2¿ is hydrogen or a C¿1?-C40 radical which may be branched or unbranched in the α position; R?3, R3a and R3b¿ are identical or different and are each hydrogen or a C¿1?-C40 radical, where at least one of the radicals R?3, R3a, R3b¿ is not hydrogen; R4 is a substituted or unsubstituted C¿6?-C40-aryl radical or C2-C40-heteroaromatic radical containing at least one heteroatom selected from the group consisting of O, N, S and P; T is a divalent C1-C40 group which together with the cyclopen tadienyl ring forms a further saturated or unsaturated ring system having a ring size of from 5 to 12 atoms, where T may contain the heteroatoms Si, Ge, N, P, O or S withing the ring system fused onto the cyclopentadienyl ring; and Z is a bridge consisting of a divalent atom or a divalent group, can be used in catalyst systems for preparing polyolefins by polymerization or copolymerization of at least one olefin. Biscyclopentadienyl ligand systems which have such a substitution pattern and can be used for preparing these organometallic transition metal compounds are also provided.