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1-溴乙基乙基碳酸酯 | 89766-09-6

中文名称
1-溴乙基乙基碳酸酯
中文别名
1-溴乙基乙基碳酸盐
英文名称
1-bromoethyl ethyl carbonate
英文别名
1-ethoxycarbonyloxyethyl bromide
1-溴乙基乙基碳酸酯化学式
CAS
89766-09-6
化学式
C5H9BrO3
mdl
——
分子量
197.029
InChiKey
RKRZYVQFKUXDEZ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    62-66 °C(Press: 18 Torr)
  • 密度:
    1.465±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.2
  • 重原子数:
    9
  • 可旋转键数:
    4
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.8
  • 拓扑面积:
    35.5
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2920909090

SDS

SDS:178f07ecfab444a9dd37483c1c02ced9
查看

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
    碳酸二乙酯 Diethyl carbonate 105-58-8 C5H10O3 118.133

反应信息

  • 作为反应物:
    描述:
    1-溴乙基乙基碳酸酯盐酸 、 TEA 、 1-羟基苯并三唑potassium hydrogencarbonate盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺三氟乙酸 作用下, 以 乙酸乙酯N,N-二甲基甲酰胺 为溶剂, 反应 3.0h, 生成 Nα-1-iminoethyl-Tyr-D-MetO-Phe-MeβAla-OCH(Me)OCOOEt
    参考文献:
    名称:
    Synthesis and Antinociceptive Activity of Orally Active Opioid Peptides: Improvement of Oral Bioavailability by Esterification
    摘要:
    为了提高地莫芬四肽类似物Nα-1-亚氨乙基-酪氨酸-D-甲氧基甲硫氨酸-苯丙氨酸-甲基β丙氨酸-OH(III)的口服生物利用度,该化合物在口服后具有强大的镇痛活性,通过对其C端羧基和/或酪氨酸1上的酚羟基进行酯化或酰化,合成了多种衍生物以增加其脂溶性。利用小鼠尾部压力测试,通过皮下或口服途径给药后评估其镇痛活性。结果发现,部分化合物在口服给药后显示出增强的镇痛活性,并且ED50(p.o.)/ED50(s.c.)比值有所改善,这一比值是口服生物利用度的指标。在改善生物利用度方面,酪氨酸1上的酚羟基被酰化的衍生物比C端羧基被酯化的衍生物效果更好。特别是,乙酰化衍生物Nα-1-亚氨乙基-酪氨酸(COMe)-D-甲氧基甲硫氨酸-苯丙氨酸-甲基β丙氨酸-OH(7a)和甲氧基羰基化衍生物Nα-1-亚氨乙基-酪氨酸(CO2Me)-D-甲氧基甲硫氨酸-苯丙氨酸-甲基β丙氨酸-OH(7l)的ED50(p.o.)/ED50(s.c.)比值与吗啡相当。
    DOI:
    10.1248/cpb.51.759
  • 作为产物:
    描述:
    碳酸二乙酯碳酸氢钠 作用下, 以70%的产率得到1-溴乙基乙基碳酸酯
    参考文献:
    名称:
    Methods for the preparation of .alpha.-bromodiethylcarbonate
    摘要:
    这是一篇关于新型化合物.alpha.-溴二乙基碳酸酯的文章,介绍了制备该化合物的新方法,以及该化合物在制备青霉素和头孢菌素的1-乙氧羰基氧乙基酯中的应用,以及改进这种酯类制备方法的方法。
    公开号:
    US04606865A1
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文献信息

  • Process for the manufacture of 1-bromoalkyl hydrocarbyl carbonates
    申请人:Societe Nationale des Poudres et Explosifs
    公开号:US05202454A1
    公开(公告)日:1993-04-13
    The invention relates to a new process for the preparation of 1-bromoalkyl hydrocarbyl carbonates. The carbonates according to the invention are prepared by reacting an alpha-chlorinated carbonate of formula ##STR1## with an anhydrous brominated compound of formula ZBr in which Z represents hydrogen, the group (CH.sub.3).sub.3 -Si-, the group ##STR2## or bromine if R.sub.2 is other than an aromatic radical, in the presence of a catalyst chosen from the group consisting of heteroaromatic amines, quaternary ammonium or phosphonium halides, hexasubstituted guanidinium halides, alkaline earth metal halides or alkali metal halides in combination with a complexing agent for their cation. The carbonates according to the invention find their preferential applications as blocking agents for some antibiotics or as agents for the synthesis of phosphorus-containing carbonates which can be used as insecticides.
    该发明涉及一种制备1-烷基羟基碳酸的新工艺。根据该发明,通过将式##STR1##的α-碳酸与式ZBr中Z代表、基(CH3)3-Si-、基##STR2##或(如果R2不是芳香基)的无化合物在选择自杂芳胺、季卤化物、六取代卤化物、碱土属卤化物或碱属卤化物的催化剂存在下反应制备碳酸。根据该发明的碳酸在一些抗生素的阻断剂或碳酸的合成剂方面具有优先应用。
  • [EN] SUBSTITUTED AMIDE COMPOUNDS<br/>[FR] COMPOSÉS D'AMIDE SUBSTITUÉ
    申请人:PFIZER
    公开号:WO2016055901A1
    公开(公告)日:2016-04-14
    The present invention is directed at substituted amide compounds of formula (I), pharmaceutical compositions containing such compounds and the use of such compounds to reduce plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases, in mammals, including humans.(Formula I)
    本发明涉及式(I)的取代酰胺化合物,含有这种化合物的药物组合物,以及利用这种化合物降低血浆脂质平,如LDL-胆固醇甘油三酯,并据此治疗由高平的LDL-胆固醇甘油三酯加重的疾病,如动脉粥样硬化和心血管疾病,在哺乳动物中,包括人类。(式I)
  • Preparation of 1'-ethoxycarbonyl-oxyethyl esters of penicillins
    申请人:Astra Lakemedel Aktiebolag
    公开号:US04889929A1
    公开(公告)日:1989-12-26
    Process for the preparation of 1'-ethoxy carbonyloxy ethyl esters of penicillins, wherein a compound of the formula ##STR1## in which A is phenyl, phenoxy or 4-hydroxyphenyl, B is hydrogen, an amino group or a protected amino group and Z is hydrogen or a cation selected from the group of alkali metal, tri (lower alkyl ) ammonium and tetra (lower alkyl) ammonium, is reacted with 1-bromoethyl ethyl carbonate in an organic solvent and when B is a protected amino group the protecting group is split off to yield a primary amino group. There are also provided novel compounds of the formula ##STR2## in which Ph is phenyl and R is CH.sub.3 -- or C.sub.2 H.sub.5 --.
    制备青霉素1'-乙乙酯的过程,其中化合物的结构式为##STR1##其中A是基、基或4-羟基,B是基或保护的基,Z是或从碱属、三(较低烷基)基和四(较低烷基)基组中选择的阳离子,与1-溴乙基乙基碳酸酯在有机溶剂中反应,当B是保护的基时,保护基被去除以产生一次基。还提供了结构式为##STR2##其中Ph是基,R是CH.sub.3--或C.sub.2H.sub.5--的新化合物。
  • Ethoxycarbonyloxy ethyl esters of non-steroidal anti-inflammatory
    申请人:Teva Pharmaceutical Industries, Ltd.
    公开号:US04851426A1
    公开(公告)日:1989-07-25
    Novel esters of the general formula ##STR1## in which ##STR2## is the acyl residue of a non-steroidal anti-inflammatory compound containing a carboxylic acid function. The novel esters are prepared by reacting an acide R--COOH when R is as above, with 1-haloethyl ethyl carbonate. There are also provided pharmaceutical compositions containing any of the said novel esters.
    通用公式为##STR1##的新酯类化合物,其中##STR2##是非甾体抗炎化合物的酰残基,含有羧酸功能。这些新酯类化合物通过将酸R--COOH(其中R如上所述)与1-卤乙基乙酸乙酯反应制备而成。还提供含有任何上述新酯类化合物的药物组合物。
  • Novel androstane-17.beta.-carboxylic acid esters
    申请人:Aktiebolaget Draco
    公开号:US04804656A1
    公开(公告)日:1989-02-14
    The invention refers to compounds having anti-inflammatory activity characterized by the formula ##STR1## or a stereoisomeric component thereof, in which formula X.sub.1 represents a hydrogen, chlorine, bromine or fluorine atom; X.sub.2 represents a hydrogen, chlorine, bromine or fluorine atom; R.sub.1 represents a .beta.-hydroxy group, a .beta.-chlorine atom or an oxo group; R.sub.2 represents a hydrogen atom, a methylene group or an .alpha.- or .beta.-methyl group; R.sub.3 represents a hydrogen atom or an acyl group of 1 through 8 carbon atoms; R.sub.4 represents a hydrogen atom, a (C.sub.1 -C.sub.5) alkyl group or a phenyl group; R.sub.5 represents a hydrogen atom, a (C.sub.1 -C.sub.5) alkyl group or a phenyl group; Y represents either CR.sub.7 R.sub.8, O, S or NR.sub.9, where R.sub.7, R.sub.8 and R.sub.9 are selected from hydrogen or from straight or branched hydrocarbon chains having 1-8 carbon atoms or from a phenyl group. R.sub.6 represents a hydrogen; a methyl group; a phenyl or an alkenyl or cycloalkylene group optionally substituted by alkyl, nitro, carboxy, alkoxy, halogen, cyano, carbalkoxy and trifluoromethyl group(s); a (C.sub.1 -C.sub.5) alkyl group substituted by at least one halogen atom; a saturated or unsaturated carbocyclic or heterocyclic (O, S, N) ring system containing 3-10 atoms in the ring system; a C.sub.1 alkyl group substituted by either one or two alicyclic or aromatic 3,4,5 or 6-numbered ring system(s) or one, two or three straight or branched alkyl or alkenyl group(s) of 1 through 18 carbon atoms; and represents a single or double bond. The invention also refers to a process and intermediates for the preparation of these compounds, a pharmaceutical preparation containing one of the compounds and a method for the treatment of inflammatory conditions.
    该发明涉及具有抗炎活性的化合物,其特征化学式为##STR1##或其立体异构体,其中化学式中X.sub.1代表原子;X.sub.2代表原子;R.sub.1代表β-羟基、β-原子或羰基;R.sub.2代表原子、亚甲基基团或α-或β-甲基基团;R.sub.3代表原子或1至8个原子的酰基基团;R.sub.4代表原子、(C.sub.1 -C.sub.5)烷基基团或基;R.sub.5代表原子、(C.sub.1 -C.sub.5)烷基基团或基;Y代表CR.sub.7 R.sub.8、O、S或NR.sub.9,其中R.sub.7、R.sub.8和R.sub.9选自或由1-8个原子的直链或支链烃基链或基。R.sub.6代表原子;甲基基团;基或基或环烷基基团,可选择地被烷基、硝基、羧基、烷基、卤素、基、羰基烷基和三甲基基团取代;由至少一个卤素原子取代的(C.sub.1 -C.sub.5)烷基基团;含有3-10个原子的饱和或不饱和环或杂环(O、S、N)环系统;由一个或两个脂环或芳香3,4,5或6号环系统取代的C.sub.1烷基基团;以及表示单键或双键。该发明还涉及制备这些化合物的过程和中间体,含有其中一种化合物的药物制剂以及用于治疗炎症症状的方法。
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