2-methyl-2-methoxypentane | 38772-53-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methyl-2-methoxypentane
• 英文别名: 2-methoxy-2-methyl-pentane；t-hexyl methyl ether；tert-hexyl methyl ether；methyl-tert-hexyl-ether；methyl t-hexyl ether；Pentane, 2-methoxy-2-methyl-；2-methoxy-2-methylpentane
• CAS: 38772-53-1
• 化学式: C₇H₁₆O
• 分子量: 116.203
• InChiKey: WYLQOLGJMFRRLX-UHFFFAOYSA-N

物化性质

• 沸点：
  102.2±8.0 °C(Predicted)
• 密度：
  0.772±0.06 g/cm3(Predicted)
• 保留指数：
  763

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  叔己基过氧化氢 、 2-methyl-2-methoxypentane 生成 di-iso-hexyl peroxide
  参考文献：
  名称：

  Preparation of di-t-alkyl peroxides and t-alkyl hydroperoxides from n-alkyl ethers

  摘要：

  一种生产t-烷基过氧化物化合物的方法，包括以下步骤： a）将n-烷基t-烷基醚与反应混合物反应，所述反应混合物包括酸性催化剂和式为RO2H（I）的化合物，其中R为H或t-烷基，但如果R为t-烷基，则t-烷基过氧化物化合物产物为二t-烷基过氧化物； b）从步骤a）得到的混合物中分离出包含所述t-烷基过氧化物化合物的反应产物。 该方法可用于从甲基t-丁基醚制备叔丁基过氧化氢或二叔丁基过氧化物。硫酸可以用作酸性催化剂。

  公开号：

  US06225510B1
• 作为产物：
  描述：

  丙烷 生成 2-methyl-2-methoxypentane
  参考文献：
  名称：

  DEBRAS, GUY L. G.;CAHEN, RAYMOND M.;DE, CLIPPELEIR GEORGES E. M. J.

  摘要：

  DOI：

文献信息

• [EN] SYNTHESIS OF AN ANTIVIRAL COMPOUND<br/>[FR] SYNTHÈSE D'UN COMPOSÉ ANTIVIRAL
  申请人：GILEAD SCIENCES INC

  公开号：WO2014028342A1

  公开（公告）日：2014-02-20

  The present disclosure provides processes for the preparation of a compound of Formula I: which is useful as an antiviral agent. The disclosure also provides compounds that are synthetic intermediates to compounds of formula.

  本公开提供了制备化合物I的方法：该化合物可用作抗病毒剂。该公开还提供了作为化合物I合成中间体的化合物。
• [EN] QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS<br/>[FR] COMPOSÉS CONTENANT DE LA QUINOXALINE EN TANT QU'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：ENANTA PHARM INC

  公开号：WO2009064975A1

  公开（公告）日：2009-05-22

  The present invention discloses compounds of formula I and II or pharmaceutically acceptable salts, esters, or prodrugs thereof which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了抑制丝氨酸蛋白酶活性的I和II公式化合物，或其药物可接受的盐、酯或前药，尤其是抑制丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且也用作抗病毒剂。本发明进一步涉及包含前述化合物的药物组合物，用于给患有HCV感染的主体进行管理。本发明还涉及通过管理包含本发明化合物的药物组合物来治疗主体中的HCV感染的方法。
• CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP
  申请人：Kimura Tomio

  公开号：US20090306059A1

  公开（公告）日：2009-12-10

  A compound having the general formula (I), pharmacologically acceptable salts thereof or prodrugs thereof: [wherein R 1 represents a hydrogen atom, a C1-C6 alkyl group which may be substituted, a C3-C6 cycloalkyl group which may be substituted, a C1-C6 alkoxy group which may be substituted or a C6-C10 aryl group which may be substituted; R 2 represents a hydrogen atom, a halogen atom, a carboxy group, a C2-C7 alkoxycarbonyl group, a carbamoyl group, a cyano group, a C1-C6 alkyl group, a halogeno C1-C6 alkyl group, a C1-C6 alkyl group substituted by a heteroaryl group, a C1-C6 alkoxy group, a halogeno C1-C6 alkoxy group, a hydroxy C1-C6 alkyl group, a C2-C12 alkoxyalkyl group, a formyl group, a C2-C7 alkanoyl group, a C4-C7 cycloalkylcarbonyl group, a C2-C7 alkylcarbamoyl group, a di(C1-C6 alkyl)carbamoyl group, a group of formula R 4 —CO—CR 5 R 6 —(CH 2 ) m —, a group of formula R 7 —CO—(CH 2 ) l —N(R 8 )— or a sulfamoyl C1-C6 alkyl group; R 3 represents a substituted C1-C6 alkyl group, a heterocyclyl group or a heterocyclyl group substituted with 1 to 5 substituents; X 1 , X 2 , X 3 , X 4 and X 5 each independently represents a hydrogen atom, a halogen atom, an amino group, a carboxy group, a carbamoyl group, a cyano group, a nitro group, a C1-C6 alkyl group, a halogeno C1-C6 alkyl group, a C1-C6 alkoxy group, or a halogeno C1-C6 alkoxy group; and n represents an integer of 0 to 2].

  具有通式（I）的化合物，其药学上可接受的盐或前药： [其中R1代表氢原子，可能被取代的C1-C6烷基，可能被取代的C3-C6环烷基，可能被取代的C1-C6烷氧基或可能被取代的C6-C10芳基； R2代表氢原子，卤原子，羧基，C2-C7烷氧羰基，氨基甲酰基，氰基，C1-C6烷基，卤代C1-C6烷基，被杂环芳基取代的C1-C6烷基，C1-C6烷氧基，卤代C1-C6烷氧基，羟基C1-C6烷基，C2-C12烷氧基烷基，甲酰基，C2-C7烷酰基，C4-C7环烷基羰基，C2-C7烷基氨基甲酰基，二(C1-C6烷基)氨基甲酰基，通式R4—CO—CR5R6—(CH2)m—的基团，通式R7—CO—( )l—N(R8)—或磺胺基C1-C6烷基； R3代表取代的C1-C6烷基，杂环烷基或带有1至5个取代基的取代的杂环烷基； X1、X2、X3、X4和X5分别独立地代表氢原子，卤原子，氨基，羧基，氨基甲酰基，氰基，硝基，C1-C6烷基，卤代C1-C6烷基，C1-C6烷氧基或卤代C1-C6烷氧基；以及 n代表0至2的整数。
• CARBOXYLIC ACID COMPOUND
  申请人：TODA Narihiro

  公开号：US20110053974A1

  公开（公告）日：2011-03-03

  To find a therapeutic agent and/or a preventive agent for diabetes mellitus or the like having excellent activity and safety. A compound represented by the following general formula (I), or a pharmacologically acceptable salt thereof. In the formula, X represents ═C(R5)- or ═N—; Y represents —O— or —NH—; L represents a bond or a substitutable C1-C3 alkylene group; M represents a substitutable C3-C10 cycloalkyl group, a substitutable C6-C10 aryl group, or a substitutable heterocyclic group; R 1 represents a C1-C6 alkyl group, a C3-C10 cycloalkyl group, a C1-C6 haloalkyl group, a C2-C6 alkenyl group, a C2-C6 alkynyl group, a C1-C6 aliphatic acyl group, a C1-C6 alkoxy C1-C6 alkyl group, or a C6-C10 aryl group; and R 2 , R 3 , R 4 , and R 5 may be the same or different and each represent a hydrogen atom, a halogen atom, a C1-C3 alkyl group, a C1-C3 haloalkyl group, a C1-C3 alkoxy group, or a nitro group. In this connection, the alkyl group moieties of R 1 and R 2 may be bonded to each other to form a 5- to 6-membered heterocyclic ring containing one oxygen atom.

  寻找具有优异活性和安全性的治疗剂和/或预防剂，用于糖尿病或类似疾病。以下通用式（I）所代表的化合物，或其药理学上可接受的盐。在该式中，X代表 ═C(R5)- 或 ═N—；Y代表 —O— 或 —NH—；L代表键或可替代的C1-C3烷基链；M代表可替代的C3-C10环烷基，可替代的C6-C10芳基，或可替代的杂环基；R1代表C1-C6烷基，C3-C10环烷基，C1-C6卤代烷基，C2-C6烯基，C2-C6炔基，C1-C6脂肪酰基，C1-C6烷氧基C1-C6烷基，或C6-C10芳基；而R2、R3、R4和R5可以相同也可以不同，每个代表氢原子，卤原子，C1-C3烷基，C1-C3卤代烷基，C1-C3烷氧基，或硝基。在这种情况下，R1和R2的烷基基团可以结合在一起形成含有一个氧原子的5-至6-成员杂环环。
• Acid-induced 13C nuclear magnetic resonance chemical shift changes of ether and ester carbon atoms
  作者：Mikael Begtrup

  DOI：10.1039/p29830001609

  日期：——

  13 C N.m.r. chemical shifts of ethers dissolved in tetrachloromethane are displaced on addition of trifluoroacetic acid. The displacements result from independent interactions of the acid with the substrate oxygen atoms and alkyl residues. The structure-dependent and stereoselective shift changes are useful for signal assignments, structure determination, conformational analysis, assessment of the

  溶解在四氯甲烷中的醚的13 C Nmr化学位移可通过添加三氟乙酸来置换。位移是由酸与底物氧原子和烷基残基的独立相互作用导致的。依赖于结构的和立体选择性的移位变化可用于信号分配，结构确定，构象分析，评估酯的快速互变构象异构体的分布以及估算醚的相对碱性。