4-甲基-2-庚酮 | 6137-06-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-甲基-2-庚酮
• 英文名称: 4-methylheptan-2-one
• 英文别名: 4-methyl-2-heptanone；2-heptanone, 4-methyl-
• CAS: 6137-06-0
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: BIFPSSTVLFHHEI-UHFFFAOYSA-N

物化性质

• 熔点：
  -32.24°C (estimate)
• 沸点：
  162.67°C (estimate)
• 密度：
  0.8203 (estimate)
• LogP：
  2.350 (est)
• 保留指数：
  936.4;949;943

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

毒理性

• 副作用

神经毒素 - 急性溶剂综合症

Neurotoxin - Acute solvent syndrome

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 海关编码：
  2914190090
• 包装等级：
  III
• 危险类别：
  3
• 危险性防范说明：
  P210,P240,P241,P242,P243,P261,P264,P271,P280,P302+P352,P303+P361+P353,P304+P340,P305+P351+P338,P312,P332+P313,P337+P313,P362,P370+P378,P403+P233,P403+P235,P405,P501
• 危险品运输编号：
  1224
• 危险性描述：
  H225,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-甲基-2-庚酮 在 乙醚 、 水 、 sodium 作用下， 生成 4-甲基-2-庚醇
  参考文献：
  名称：

  Clarke, American Chemical Journal, 1908, vol. 39, p. 94

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴戊烷 在 盐酸 、 乙醇 作用下， 生成 4-甲基-2-庚酮
  参考文献：
  名称：

  264.在烯烃系统中的α-亚甲基反应性。第四部分 二氯化物的结构是由氯化锡催化的三甲基乙烯聚合形成的。异构甲基己基酮的合成与表征

  摘要：

  DOI：

  10.1039/jr9500001302

文献信息

• CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1209147A1

  公开（公告）日：2002-05-29

  Prevention or therapy of inflammatory diseases caused by invasion of leukocytes such as monocytes, lymphocytes and eosinophils, by providing a substance which inhibits cell adhesion via an adhesion molecule, especially adhesion molecule VLA-4, is disclosed. A group of carboxylic acid derivatives represented by, for example, and adhesion molecule inhibitors comprising the same as an effective ingredient were provided.

  通过提供一种通过粘附分子抑制细胞粘附的物质，特别是粘附分子VLA-4，来预防或治疗由单核细胞、淋巴细胞和嗜酸性粒细胞侵袭引起的炎症性疾病的方法被揭示。提供了一组由羧酸衍生物代表的粘附分子抑制剂，例如，以其为有效成分的粘附分子抑制剂。
• Copper-catalysed asymmetric conjugate addition of organometallic reagents to linear enones using thiourethane ligands
  作者：Simon M.W. Bennett、Stephen M. Brown、James P. Muxworthy、Simon Woodward

  DOI：10.1016/s0040-4039(98)02686-0

  日期：1999.2

  In the presence of chiral thiourethane ligands [Cu(MeCN)4]BF4 forms active catalysts for the conjugate addition of MeMgBr, ZnEt2 and AlR3 (R = Me, Et) to non-3-en-2-one, hept-3-en-2-one, and 5-methylhex-3-en-2-one. Enantioselectivities of up to 51% are realised for these difficult substrates; for cyclohex-2-enone an e.e. of 42% is attained.

  在手性硫代氨基​​甲酸酯配体的存在下[Cu（MeCN）4 ] BF 4形成活性催化剂，用于将MeMgBr，ZnEt 2和AlR 3（R = Me，Et）共轭加成到非3-en-2-one，庚-3-en-2-one和5-methylhex-3-en-2-one。这些难处理的底物的对映选择性高达51％。对于环己-2-烯酮，ee达到42％。
• [EN] PART-STREAM DISTILLATION<br/>[FR] DISTILLATION DE FLUX PARTIEL
  申请人：BASF SE

  公开号：WO2016066629A1

  公开（公告）日：2016-05-06

  A continuous process for the preparation of propylene oxide, comprising (a) reacting propene with hydrogen peroxide in a reaction apparatus in the presence of acetonitrile as solvent, obtaining a stream SO containing propylene oxide, acetonitrile, water, at least one further component B wherein the normal boiling point of the at least one component B is higher than the normal boiling point of acetonitrile; (b) separating propylene oxide from SO, obtaining a stream SI containing acetonitrile, water and the at least one further component B; (c) dividing S1 into two streams S2 and S3; (d) subjecting S3 to a vapor-liquid fractionation in a first fractionation unit, obtaining a vapor fraction stream S4 a being depleted, relative to S3, of at least one of the at least one component B and obtaining a liquid bottoms stream S4b, and subjecting at least part of the vapor fraction stream S4 a to a vapor-liquid fractionation in a second fractionation unit, obtaining a vapor fraction stream S4c and a liquid bottoms stream S4 being depleted, relative to S4a, of at least one of the at least one component B; (e) recycling at least a portion of S4, optionally after work-up, to (a).

  一种制备丙烯氧的连续工艺，包括(a)在存在乙腈作为溶剂的反应装置中，将丙烯与过氧化氢反应，得到含有丙烯氧、乙腈、水和至少一种进一步组分B的流SO；(b)从SO中分离丙烯氧，得到含有乙腈、水和至少一种进一步组分B的流SI；(c)将S1分成两个流S2和S3；(d)在第一分馏装置中对S3进行汽液分馏，得到贫化至少一种组分B的汽相流S4a相对于S3，并得到液体底流S4b，并对至少部分汽相流S4a进行第二分馏装置的汽液分馏，得到汽相流S4c和贫化至少一种组分B的液体底流S4；(e)将至少一部分S4回收，可选地经过后续处理后返回(a)。
• PROCESS FOR PREPARING PROPYLENE OXIDE
  申请人：BASF SE

  公开号：US20160176834A1

  公开（公告）日：2016-06-23

  A continuous process for the preparation of propylene oxide, comprising (i) providing a liquid feed stream comprising propene, hydrogen peroxide, acetonitrile, water, optionally propane, and at least one dissolved potassium salt of a phosphorus oxyacid wherein the molar ratio of potassium relative to phosphorus in the at least one potassium salt of a phosphorus oxyacid is in the range of from 0.6 to 1.4; (ii) passing the liquid feed stream provided in (i) into an epoxidation reactor comprising a catalyst comprising a titanium zeolite of structure type MVVW comprising zinc, and subjecting the liquid feed stream to epoxidation reaction conditions in the epoxidation reactor, obtaining a reaction mixture comprising propylene oxide, acetonitrile, water, the at least one dissolved potassium salt of a phosphorus oxyacid, optionally propene, and optionally propane; (iii) removing an effluent stream from the epoxidation reactor, the effluent stream comprising propylene oxide, acetonitrile, water, at least a portion of the at least one dissolved potassium salt of a phosphorus oxyacid, optionally propene, and optionally propane.

  一种制备丙烯醚的连续过程，包括(i)提供液态进料流，包括丙烯、过氧化氢、乙腈、水、可选的丙烷和至少一种磷氧酸钾盐，其中至少一种磷氧酸钾盐中钾与磷的摩尔比在0.6至1.4范围内；(ii)将提供的液态进料流引入包含一种结构类型为MVVW的钛沸石催化剂的环氧化反应器中，并在环氧化反应器中进行环氧化反应条件，得到反应混合物，包括丙烯醚、乙腈、水、至少一种磷氧酸钾盐、可选的丙烷和可选的丙烯；(iii)从环氧化反应器中移除流出的废液流，该废液流包括丙烯醚、乙腈、水、至少一部分磷氧酸钾盐、可选的丙烷和可选的丙烯。
• STABLE HELICAL IONIC POLYPEPTIDES
  申请人：Cheng Jianjun

  公开号：US20130274173A1

  公开（公告）日：2013-10-17

  The invention provides polymers comprising Formula I: wherein monomer is a repeating unit comprising 2, 3, 4, 5, 6 or 7 carbon atoms and the monomers are linked together through amide or ester bonds; n is about 6 to about 1000; and Linker is an optionally substituted carbon chain that is optionally interrupted by moieties such as oxygen, nitrogen, sulfur, phosphorus, or silicon. Charge is a moiety having a positive or negative charge on a heteroatom, such as nitrogen, oxygen, phosphorus, or sulfur; where the Linker separates the monomer and the Charge by at least six linear atoms. The invention also provides methods of preparing the polymers and the copolymers and methods of using the polymers and copolymers, for example, as drug delivery systems, as membrane penetrating peptides, and as therapeutic agents.

  本发明提供了具有以下式子（I）的聚合物：其中单体是由2、3、4、5、6或7个碳原子组成的重复单元，且单体通过酰胺或酯键连接在一起；n约为6到约1000；连接体是一种可以选择性地被氧、氮、硫、磷或硅等官能团中断的可选择性取代的碳链。电荷是具有异原子上的正或负电荷的官能团，例如氮、氧、磷或硫；其中连接体至少由六个线性原子将单体和电荷分开。本发明还提供了制备聚合物和共聚物的方法，以及使用聚合物和共聚物的方法，例如作为药物传递系统、作为膜穿透肽和作为治疗剂。

表征谱图