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trioxane | 188680-60-6

中文名称
——
中文别名
——
英文名称
trioxane
英文别名
——
trioxane化学式
CAS
188680-60-6
化学式
C3H6O3
mdl
——
分子量
90.0788
InChiKey
KQBSGRWMSNFIPG-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:
    36.2±23.0 °C(Predicted)
  • 密度:
    1.131±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    0.3
  • 重原子数:
    6
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    27.7
  • 氢给体数:
    0
  • 氢受体数:
    3

上下游信息

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    [EN] METHOD FOR THE ADDITION OF FORMALDEHYDE TO OLEFINS
    [FR] PROCEDE D'AJOUT DE FORMALDEHYDE A DES OLEFINES
    摘要:
    这项发明涉及一种通过将甲醛与烯烃或烯烃混合物转化制备非饱和同烯基醇和其甲酸酯的方法。
    公开号:
    WO2004058670A1
  • 作为产物:
    描述:
    参考文献:
    名称:
    Process for the manufacture of cyclic acetals of aliphatic aldehydes
    摘要:
    从饱和的脂肪族醛制备环状缩醛的方法包括将2-16个碳原子的饱和脂肪族醛与二氧化硅凝胶接触。
    公开号:
    US04330474A1
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文献信息

  • Synthesis of 13-alkyl-gon-4-ones
    申请人:Smith; Herchel
    公开号:US03959322A1
    公开(公告)日:1976-05-25
    The preparation of 13-methylgon-4-enes and novel 13-polycarbonalkylgon-4-enes by a new total synthesis is described. 13-Alkylgon-4-enes having progestational, anabolic and androgenic activities are prepared by forming a tetracylic gonane structure unsaturated in the 1,3,5(10),9(11) and 14-positions, selectively reducing in the B- and C-rings, and converting the aromatic A-ring compounds so-produced to gon-4-enes by Birch reduction and hydrolysis.
    描述了通过新的全合成方法制备13-甲基孕-4-烯和新型13-聚碳烷基孕-4-烯。通过形成在1,3,5(10),9(11)和14-位置不饱和的四环孕烷结构,选择性地在B和C环中还原,并将所产生的芳香A环化合物转化为孕-4-烯,制备具有孕激素、合成激素和雄激素活性的13-烷基孕-4-烯。
  • Synthesis of gon-4-enes
    申请人:Smith; Herchel
    公开号:US04002746A1
    公开(公告)日:1977-01-11
    1. A therapeutic composition having progestational activity comprising as active ingredient a 17-aliphatic carboxylic acid ester of 17.alpha.-ethynyl-18-methyl-19-nortestosterone and a pharmaceutical carrier for said compound.
    一种具有孕激素活性的治疗组合物,其活性成分为17-脂肪族羧酸酯的17α-乙炔基-18-甲基-19-去甲睾酮,以及用于该化合物的药用载体。
  • Process for preparing 6-methylene steroids
    申请人:Schering Aktiengesellschaft
    公开号:US04322349A1
    公开(公告)日:1982-03-30
    A process for preparing a 6-methylene-.DELTA..sup.4 -3-keto steroid of the formula ##STR1## wherein R is hydrogen, alkoxy of up to 6 carbon atoms or acyloxy of up to 6 carbon atoms wherein the acyl group is that of a carboxylic acid, and R' is the CD-ring system of a steroid of the androstane or pregnane series, comprising reacting the corresponding .DELTA..sup.4 -3-keto steroid of the formula ##STR2## with a formaldehyde derivative of the formula X(CH.sub.2 O).sub.n Y wherein n is 1, 3 or an integer on the order of 100-1000, and X is C.sub.1-5 alkoxy and Y is C.sub.1-5 alkyl when n is 1, X and Y represent a single bond between the terminal C atom and the terminal O atom when n is 3, and X is hydroxy and Y is hydrogen when n is an integer on the order of 100-1000, in an inert solvent in the presence of a condensation agent which is a strong acid a strongly acidic cation exchanger or a phosphoric acid derivative.
    一种制备式的6-亚甲基-Δ4-3-酮类固醇的方法,其中R为氢、最多含有6个碳原子的烷氧基或最多含有6个碳原子的乙酰氧基,其中酰基是羧酸的酰基,R'为雄甾烷或孕烷系列类固醇的CD环系统,包括将相应的Δ4-3-酮类固醇与式的甲醛衍生物反应X(CH2O)nY,其中n为1、3或约为100-1000的整数,X为C1-5烷氧基,Y为C1-5烷基,当n为1时,X和Y代表末端C原子和末端O原子之间的单键,当n为3时,X和Y代表末端C原子和末端O原子之间的单键,当n为约为100-1000的整数时,X为羟基,Y为氢,在惰性溶剂中,在存在强酸、强酸性阳离子交换剂或磷酸衍生物的缩聚剂的情况下进行。
  • Imidazo (1,2-A)-Indeno (1,2-E) pyrazin-4-one derivatives and
    申请人:Rhone-Poulenc Rorer S.A.
    公开号:US05807859A1
    公开(公告)日:1998-09-15
    Pharmaceutical compositions containing, as the active principle, compounds of formula (I): ##STR1## wherein R, R.sub.1 and R.sub.2 are as defined in the description, or salts thereof, the novel compounds of formula (I), and the preparation thereof. The compounds of formula (I) have valuable pharmacological properties and are alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor antagonists, this receptor also being known as the quisqualate receptor. Furthermore, the compounds of formula (I) are non-competitive N-methyl-D-aspartate (NDMA) receptor antagonists, and particularly NMDA receptor glycine modulation site ligands.
    含有作为活性原理的化合物的药物组合物,其化学式为(I):##STR1##其中R、R.sub.1和R.sub.2如描述中所定义,或其盐,化学式(I)的新化合物及其制备方法。化学式(I)的化合物具有有价值的药理特性,是α-氨基-3-羟基-5-甲基-4-异恶唑丙酸(AMPA)受体拮抗剂,该受体也被称为喹氨酸受体。此外,化学式(I)的化合物是非竞争性N-甲基-D-天冬氨酸(NDMA)受体拮抗剂,特别是NMDA受体甘氨酸调节位点配体。
  • 1H-2,1,3-benzothiadiazine-2,2-dioxide compounds or derivatives thereof
    申请人:Eli Lilly and Company Limited
    公开号:US05929072A1
    公开(公告)日:1999-07-27
    A pharmaceutical compound having the formula: ##STR1## in which n is 1 or 2, m is 1 or 2, p is 1 to 6, q is 0 or 1 to 3, R.sup.1 and R.sup.2 are each hydrogen or C.sub.1-4 alkyl, R.sup.3, R.sup.4 and R.sup.5 are each hydrogen, C.sub.1-4 alkyl, optionally substituted phenyl or optionally substituted phenyl-C.sub.1-4 alkyl, or R.sup.3 and R.sup.4 together form an alkylene link of formula --(CH.sub.2).sub.3 -- or --(CH.sub.2).sub.4 --, or R.sup.4 and R.sup.5 together with the carbon atom to which they are attached form a C.sub.3-6 cycloalkyl group, R.sup.6 is C.sub.1-4 alkyl, C.sub.1-4 alkoxy, carboxy, hydroxy, cyano, halo, trifluoromethyl, nitro or amino, the dotted line represents an optional double bond, and the fluorine atom is attached at the 6 or 7-position; and salts and esters thereof.
    一种具有以下结构式的药物化合物:##STR1## 其中n为1或2,m为1或2,p为1至6,q为0或1至3,R.sup.1和R.sup.2分别为氢或C.sub.1-4烷基,R.sup.3、R.sup.4和R.sup.5分别为氢、C.sub.1-4烷基、可选择取代的苯基或可选择取代的苯基-C.sub.1-4烷基,或者R.sup.3和R.sup.4一起形成一个结构式为--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--的烷基链,或者R.sup.4和R.sup.5与它们连接的碳原子一起形成一个C.sub.3-6环烷基基团,R.sup.6为C.sub.1-4烷基、C.sub.1-4烷氧基、羧基、羟基、氰基、卤素、三氟甲基、硝基或氨基,虚线代表可选的双键,氟原子连接在第6或第7位;以及其盐和酯。
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同类化合物

氯乙醛三聚物 三聚甲醛 三聚乙醛 S-三噁烷-13C3 9-氟-3,3-二甲基-1,2,5-三氧杂螺[5.5]十一烷-9-羧酸 6-甲基-2,4-二乙基-1,3,5-三恶烷 6,7a-二苯基螺[4a,7a-二氢-4aH-环戊二烯并[2,1-e]1,2,4-三氧杂环己烷-3,1'-环己烷]-5-酮 4-(1,3,5-三氧杂环己烷-2-基)哒嗪 3-苯基-1,2,5-三氧杂螺[5.5]十一碳-7,10-二烯-9-酮 3,3-二甲基-1,2,5-三氧杂螺[5.5]十一烷-9-羧酸 2-氮杂二环[2.2.1]庚-5-烯-3-羧酸,乙基酯(9CI) 2-乙基-4,6-二甲基-1,3,5-三氧杂环己烷 2,4,6-三异丙基-1,3,5-三氧杂环己烷 2,4,6-三异丁基-1,3,5-三氧杂环己烷 2,4,6-三壬基-1,3,5-三氧杂环己烷 2,4,6-三乙基-1,3,5-三氧杂环己烷 2,4,6-三丙基-1,3,5-三氧杂环己烷 2,4,6-三(苯基甲基)-1,3,5-三氧杂环己烷 2,4,6-三(二氯甲基)-1,3,5-三氧杂环己烷 2,4,6-三(2-氯乙基)-1,3,5-三氧杂环己烷 1,3-二氧杂环庚烷与1,3,5-三氧杂环己烷的聚合物 1,3,5-三氧杂环己烷与环氧乙烷的聚合物 1,3,5-三氧杂环己烷与2,2-1,4-丁烷二基二(氧基亚甲基)二环氧乙烷和1,3-二氧戊环的聚合物 1,3,5-三氧杂环己烷与1,3-二氧戊环的聚合物 (4aS,7aS)-6,7a-二苯基螺[7,4a,7a-三氢环戊二烯并[2,1-e]1,2,4-三氧杂环己烷-3,1'-环戊烷] methyl 1,4,6-trimethyl-2,3,5-trioxabicyclo[2.2.2]oct-7-ene-8-carboxylate Spiro[4a,7,8,8a-tetrahydro-1,2,4-benzotrioxine-3,4'-cyclohexane]-1'-one (5RS,6RS)-5-methyl-6-(prop-1-en-2-yl)spiro[1,2,4-trioxacyclohexane-3,2'-adamantane] (4'aRS,7'aRS)-4'a,7'a-dihydro-6',7'a-diphenylspiro(adamantane-2,3'-[7H]cyclopenta[1,2,4]trioxine) 2,4,6-tris(pent-4-enyl)-1,3,5-trioxane 2-trimethylsilyl-1,3,5-trioxane 2-triethylsilyl-1,3,5-tioxane 4-(hydroxyethyl)-3-(prop-1-en-2-yl)-1,2,5-trioxaspiro[5.5]undecane triphosgene 2,4,6-Tris(beta-trimethylammoniumethyl)-s-trioxane trichloride 6-phenyl-1,2,4-trioxan-3-one 2,4,6-tris(5-chloroamyl)-1,3,5-trioxane 2,4,6-tridodecyl-[1,3,5]trioxane 5-hydroxy-2,2,6,8-tetramethyl-7,9-10-trioxatricyclo<6.2.2.01.6>dodec-11-ene α-chloropropionaldehyde trimer 8-methyl-6,7,10-trioxa-spiro[4.5]decane-8-carbaldehyde ethyl 9-fluoro-3,3-dimethyl-1,2,5-trioxaspiro[5.5]undecane-9-carboxylate cycl. Cyclopentancarbaldehyd-trimer 2,4,6-tripentyl-1,3,5-trioxane 2,4,6-tris-(α-bromo-isopropyl)-[1,3,5]trioxane 3-methyl-5-methylsulfanylspiro[1,2,4-trioxane-6,2'-adamantane] 2-hexyl-4,6-dimethyl-[1,3,5]trioxane 2,4-dimethyl-6-propyl-[1,3,5]trioxane 2,4,6-tritridecyl-[1,3,5]trioxane 3,3,4,4-Tetramethyl-1,2,5-trioxaspiro[5.5]undecan-9-one