1,3-二环己基丙酮 | 62221-40-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,3-二环己基丙酮
• 英文名称: 1,3-dicyclohexylpropan-2-one
• 英文别名: 1,3-Dicyclohexylacetone；cyclohexylmethyl ketone；1,3-Dicyclohexyl-aceton；Bis-hexahydrobenzyl-keton；α.α'-Dicyclohexyl-aceton
• CAS: 62221-40-3
• 化学式: C₁₅H₂₆O
• 分子量: 222.371
• InChiKey: MTZFNNPXUNICMF-UHFFFAOYSA-N

物化性质

• 沸点：
  288.1±8.0 °C(Predicted)
• 密度：
  0.926±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,3-二环己基丙酮 在 platinum(IV) oxide 氢气 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成 1-Amino-3-(2-cyclohexyl-1-cyclohexylmethyl-ethylamino)-propan-2-ol
  参考文献：
  名称：

  抗菌N-ω，ω'-双（脂环族和芳基）-仲烷基] -1，3-二氨基-2-丙醇二盐酸盐。

  摘要：

  潜在地合成了一系列14种抗菌N-ω，ω'-双（环烷基，双环[2.2.1]庚基和取代的苯基）-仲烷基] -1,3-二氨基-2-丙醇二盐酸盐外用杀菌剂和消毒剂。对铜绿假单胞菌特别有效的四种衍生物包括三个不同的环型取代基和一个8-n-十五烷基部分。计算出的更有效化合物的N取代基的Hansch疏水参数（pi）在7.0--9.0范围内，并且在测定条件下与作为抛物线的所有产品的最小抑制活性相关。对革兰氏阳性和其他革兰氏阴性细菌的效力与苯扎氯铵和洗必泰相当。

  DOI：

  10.1002/jps.2600710329
• 作为产物：
  描述：

  环己基乙酸 在 铁粉 作用下， 生成 1,3-二环己基丙酮
  参考文献：
  名称：

  Antibacterial N-[.omega.,.omega.'-bis(alicyclic and aryl)-sec-alkyl]poly(methylenetriamine and -tetramine) hydrochloride salts

  摘要：

  A series of antibacterial N-(omega, omega'-(cycloalkyl, bicyclo[2.2.1]heptyl, and alkyl-substituted phenyl)-sec-alkyl]poly(methylene)triamine and -tetramine hydrochloride salts were synthesized in an effort to develop efficient, nonsystemic inhibitors, particularly for Pseudomonas aeruginosa. In the 1,5,9-triazanonane group, 3 of 16 compounds were effective at 8--10 micrograms/mL against pseudomonads. Efficiency appeared more dependent upon lipophilicity of the nitrogen substituent than other characteristics represented by the three types of rings. A parabolic relationship was observed for the entire set between the hydrophobic parameter, pi, of the lipoidal moiety and minimal inhibitory concentration. One of 16 tetramines, 1-[1,5-bis(3,3-dimethyl-2-norbornyl)-3-pentyl]-1,5,9,13-tetraazatridecane tetrahydrochloride (26f), ranked similarly. An additional two compounds in each series were superior to several commercial cationic detergents in the control of the Gram-negative bacteria. None was inhibitory at up to 200 micrograms/mL for Proteus vulgaris.

  DOI：

  10.1021/jm00197a024

文献信息

• Highly Selective Hydrogenation of Aromatic Ketones and Phenols Enabled by Cyclic (Amino)(alkyl)carbene Rhodium Complexes
  作者：Yu Wei、Bin Rao、Xuefeng Cong、Xiaoming Zeng

  DOI：10.1021/jacs.5b05868

  日期：2015.7.29

  complexes ligated by strongly σ-donating cyclic (amino)(alkyl)carbenes (CAACs) show unique catalytic activity for the selective hydrogenation of aromatic ketones and phenols by reducing the aryl groups. The use of CAAC ligands is essential for achieving high selectivity and conversion. This method is characterized by its good compatibility with unsaturated ketones, esters, carboxylic acids, amides, and

  由强 σ 供体环状（氨基）（烷基）卡宾 (CAAC) 连接的空气稳定的 Rh 配合物通过还原芳基显示出独特的催化活性，可用于芳香酮和苯酚的选择性氢化。CAAC 配体的使用对于实现高选择性和转化率至关重要。该方法的特点是与不饱和酮、酯、羧酸、酰胺和氨基酸具有良好的相容性，并且可以在不影响其效率的情况下进行扩展。
• Nor-statine and nor-cyclostatine polypeptides
  申请人：Pfizer Inc.

  公开号：US04814342A1

  公开（公告）日：1989-03-21

  Polypeptides and derivatives thereof containing nor-statine and nor-cyclostatine are useful for inhibiting the angiotensinogen-cleaving action of the enzyme renin.

  多肽及其衍生物中含有诺斯他汀和诺环斯他汀，对抑制酶肾素的血管紧张素原裂解作用是有用的。
• STEAROYL AMINO ACID SALT AND PREPARATION METHOD AND APPLICATION THEREOF
  申请人：SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE

  公开号：US20160326096A1

  公开（公告）日：2016-11-10

  A stearoyl amino acid salt having a structural formula of the general formula (I), wherein R 1 is H or an aromatic base capable of being substituted by one or more substituents, or a C 1-4 straight chain or an alkyl with a branched chain, the substituent being an alcoholic hydroxyl group or a phenolic hydroxyl group; and R 2 is a C 11-25 saturated or unsaturated aliphatic group. Also provided are methods of preparing the stearoyl amino acid salt, and methods of using the stearoyl amino acid salt. Compared to a prototype drug stearoyl amino acid, the stearoyl amino acid salt described herein has excellent physicochemical properties, good stability, high relative bioavailability, a strong drug effect and a high safety factor. It is thus expected to become a candidate for clinical treatment of neurodegenerative diseases and acute brain injury, and a clinical drug for weight loss, thus having broad application prospects.

  一种具有通式（I）的结构式的硬脂酰氨基酸盐，其中R1为H或能够被一个或多个取代基取代的芳香基，或为C1-4直链或带有支链的烷基，取代基为醇羟基或酚羟基；R2为C11-25饱和或不饱和脂肪族基团。还提供了制备硬脂酰氨基酸盐的方法，以及使用硬脂酰氨基酸盐的方法。与原型药物硬脂酰氨基酸相比，本文描述的硬脂酰氨基酸盐具有优异的理化性质，良好的稳定性，高相对生物利用度，强大的药效和高安全系数。因此，预计将成为神经退行性疾病和急性脑损伤的临床治疗候选药物，以及减重的临床药物，具有广泛的应用前景。
• CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL-D-TRYPTOPHAN
  申请人：Tam Tim Fat

  公开号：US20100016243A1

  公开（公告）日：2010-01-21

  A process for making pure crystalline D-isoglutamyl-D-tryptophan is provided which includes the step of deprotecting essentially pure N-tert-butoxycarbonyl-D-isoglutamyl-D-tryptophan or its diester to yield essentially pure D-isoglutamyl-D-tryptophan. A process is also provided for the preparation of pure mono ammonium salt of D-isoglutamyl-D-tryptophan from essentially pure N-tert-butoxycarbonyl-D-isoglutamyl-D-tryptophan. D-isoglutamyl-D-tryptophan, ammonium salt (1:1) is a stable pharmaceutical solid.

  提供了一种制备纯结晶D-异戊氨酰-D-色氨酸的过程，包括去保护基本纯的N-叔丁氧羰基-D-异戊氨酰-D-色氨酸或其二酯的步骤，以得到基本纯的D-异戊氨酰-D-色氨酸。还提供了一种从基本纯的N-叔丁氧羰基-D-异戊氨酰-D-色氨酸制备纯D-异戊氨酰-D-色氨酸单铵盐的过程。D-异戊氨酰-D-色氨酸，铵盐（1:1）是一种稳定的药用固体。
• Urazole analogs of prostaglandins
  申请人：Beecham Group Limited

  公开号：US04367338A1

  公开（公告）日：1983-01-04

  Compounds of formula (I) ##STR1## wherein: n is 1 to 5 Y is --CH.sub.2 --CH.sub.2 or --CH.dbd.CH--; R.sub.1 is hydrogen or CO.sub.2 R.sub.1 represents an ester group in which the R.sub.1 moiety contains from 1-12 carbon atoms; R.sub.2 is hydrogen, C.sub.1-4 alkyl, or phenyl; R.sub.3 is hydroxy or protected hydroxy; R.sub.4 is hydrogen, C.sub.1-9 alkyl, C.sub.3-8 cycloalkyl, C.sub.3-8 cycloalkyl-C.sub.1-6 alkyl, phenyl, phenyl --C.sub.1-6 alkyl, naphthyl, naphthyl C.sub.1-6 alkyl, any of which phenyl moieties or naphthyl moieties may be substituted by one or more halogen, trifluoromethyl, C.sub.1-6 alkyl, hydroxy, C.sub.1-6 alkoxy, phenyl C.sub.1-6 alkoxy or nitro groups; R.sub.5 is hydrogen, C.sub.1-6 alkyl, C.sub.5-8 cycloalkyl, phenyl, phenyl-C.sub.1-6 alkyl or phenyl C.sub.3-6 cycloalkyl, any of which phenyl moieties may be substituted by one or more halogen, trifluoromethyl, C.sub.1-6 alkyl, C.sub.1-6 alkoxy or nitro groups; or R.sub.2 and R.sub.4 taken with the carbon atom to which they are joined represent a C.sub.5-8 cycloalkyl group; and salts thereof are useful for their prostaglandin-like activity.

  式(I)的化合物##STR1##其中：n为1至5；Y为--CH.sub.2 --CH.sub.2或--CH.dbd.CH--; R.sub.1为氢或CO.sub.2；R.sub.1代表一个酯基，其中R.sub.1基团含有1-12个碳原子；R.sub.2为氢、C.sub.1-4烷基或苯基；R.sub.3为羟基或保护羟基；R.sub.4为氢、C.sub.1-9烷基、C.sub.3-8环烷基、C.sub.3-8环烷基-C.sub.1-6烷基、苯基、苯基--C.sub.1-6烷基、萘基、萘基C.sub.1-6烷基，其中苯基基团或萘基基团可以被一个或多个卤素、三氟甲基、C.sub.1-6烷基、羟基、C.sub.1-6烷氧基、苯基C.sub.1-6烷氧基或硝基取代；R.sub.5为氢、C.sub.1-6烷基、C.sub.5-8环烷基、苯基、苯基-C.sub.1-6烷基或苯基C.sub.3-6环烷基，其中苯基基团可以被一个或多个卤素、三氟甲基、C.sub.1-6烷基、C.sub.1-6烷氧基或硝基取代；或者R.sub.2和R.sub.4与它们连接的碳原子一起代表一个C.sub.5-8环烷基基团；以及其盐对于其前列腺素样活性是有用的。