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2,4-dimethylbenzofuran | 53715-85-8

中文名称
——
中文别名
——
英文名称
2,4-dimethylbenzofuran
英文别名
2,4-Dimethyl-1-benzofuran
2,4-dimethylbenzofuran化学式
CAS
53715-85-8
化学式
C10H10O
mdl
MFCD18451232
分子量
146.189
InChiKey
VAJDUPSIEUTLHX-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

计算性质

  • 辛醇/水分配系数(LogP):
    3.1
  • 重原子数:
    11
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.2
  • 拓扑面积:
    13.1
  • 氢给体数:
    0
  • 氢受体数:
    1

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

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    The fischer indolisation reaction and the synthesis of dihydroindenoindoles
    摘要:
    The Fischer reaction between indanones and certain alkoxyarylhydrazines fails; the indanones are returned unreacted and the arylhydrazines are converted into the corresponding alkoxy-2-chloroarylamines and other products. A new N-amination route to arylhydrazines from the arylamines has been developed and it has been demonstrated that problems with the indolisation of alkoxyarylhydrazones can be circumvented by ring closures of their O-tosylated analogues. Some results using the Lepke synthesis of indoles are recorded.
    DOI:
    10.1016/s0040-4020(01)81911-6
  • 作为产物:
    描述:
    甲硫醇钠 在 sulfur 作用下, 以 乙醚 为溶剂, 反应 9.5h, 生成 2,4-dimethylbenzofuran
    参考文献:
    名称:
    The fischer indolisation reaction and the synthesis of dihydroindenoindoles
    摘要:
    The Fischer reaction between indanones and certain alkoxyarylhydrazines fails; the indanones are returned unreacted and the arylhydrazines are converted into the corresponding alkoxy-2-chloroarylamines and other products. A new N-amination route to arylhydrazines from the arylamines has been developed and it has been demonstrated that problems with the indolisation of alkoxyarylhydrazones can be circumvented by ring closures of their O-tosylated analogues. Some results using the Lepke synthesis of indoles are recorded.
    DOI:
    10.1016/s0040-4020(01)81911-6
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文献信息

  • [EN] HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT D'ÉTATS LIÉS AU STRESS
    申请人:OTSUKA PHARMA CO LTD
    公开号:WO2010137738A1
    公开(公告)日:2010-12-02
    The present invention provides a novel heterocyclic compound. A heterocyclic compound represented by general formula (1) wherein, R1 and R2, each independently represent hydrogen; a phenyl lower alkyl group that may have a substituent(s) selected from the group consisting of a lower alkyl group and the like on a benzene ring and/or a lower alkyl group; or a cyclo C3-C8 alkyl lower alkyl group; or the like; R3 represents a lower alkynyl group or the like; R4 represents a phenyl group that may have a substituent(s) selected from the group consisting of a 1,3,4-oxadiazolyl group that may have e.g., halogen or a heterocyclic group selected from pyridyl group and the like; the heterocyclic group may have at least one substituent(s) selected from a lower alkoxy group and the like or a salt thereof.
    本发明提供了一种新颖的杂环化合物。一种由通式(1)表示的杂环化合物,其中,R1和R2分别独立表示氢;苯基较低烷基基团,可能在苯环和/或较低烷基基团上具有从较低烷基基团等组成的取代基;或环C3-C8烷基较低烷基基团;或类似物;R3表示较低炔基基团或类似物;R4表示可能具有从1,3,4-噁二唑基团(例如,卤素)或从吡啶基团等组成的取代基的苯基团;所述杂环基可能具有至少一个从较低烷氧基等选择的取代基或其盐。
  • C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF
    申请人:SHANGHAI DE NOVO PHARMATECH CO. LTD.
    公开号:US20170037038A1
    公开(公告)日:2017-02-09
    This invention relates to a kind of C-aryl glycoside derivatives, its pharmaceutical compositions, preparation methods, and uses thereof. The preparation method comprises: method 1: in a solvent, deprotecting the acetyl protecting groups of compound 1-f in the presence of a base; method 2: 1) compound 2-g reacts with via Mitsunobu reaction; 2) deprotecting the acetyl protecting groups of compound 2-f obtained from step 1; method 3: 1) compound 2-g reacts with via nucleophilic substitution reaction; 2) deprotecting the acetyl protecting groups of compound 3-f obtained from step 1. The pharmaceutical composition comprises a kind of C-aryl glycoside derivatives; it's pharmaceutically acceptable salts and/or prodrugs thereof and excipient thereof. This invention further relates to a kind of C-aryl glycoside derivatives, it's pharmaceutically acceptable salts or pharmaceutical compositions thereof for the use in preparation of a SGLT inhibitor. The C-aryl glycoside derivatives of this invention provides a new direction for the study of SGLT inhibitors.
    这项发明涉及一种C-芳基糖苷衍生物,其药物组合物、制备方法及其用途。制备方法包括:方法1:在溶剂中,在碱的存在下去保护化合物1-f的乙酰保护基;方法2:1)化合物2-g通过Mitsunobu反应发生反应;2)去除从步骤1得到的化合物2-f的乙酰保护基;方法3:1)化合物2-g通过亲核取代反应发生反应;2)去除从步骤1得到的化合物3-f的乙酰保护基。药物组合物包括一种C-芳基糖苷衍生物;其药学上可接受的盐和/或前药以及赋形剂。这项发明还涉及一种C-芳基糖苷衍生物,其药学上可接受的盐或其药物组合物,用于制备SGLT抑制剂。这项发明的C-芳基糖苷衍生物为SGLT抑制剂的研究提供了新的方向。
  • [EN] 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS<br/>[FR] COMPOSÉS 3-AZA-BICYCLO[3.3.0]OCTANE
    申请人:ACTELION PHARMACEUTICALS LTD
    公开号:WO2009004584A1
    公开(公告)日:2009-01-08
    The invention relates to 3-aza-bicyclo[3.3.0]octane derivatives of the formula (I) wherein R1, R2, R3, and A are as described in the description and their use as orexin receptor antagonists.
    这项发明涉及式(I)的3-aza-bicyclo[3.3.0]辛烷衍生物,其中R1、R2、R3和A如描述中所述,并且它们作为促进睡眠的受体拮抗剂的用途。
  • [EN] HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE.<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT OU LA PRÉVENTION DE TROUBLES PROVOQUÉS PAR UNE NEUROTRANSMISSION RÉDUITE DE LA SÉROTONINE, DE LA NORÉPINEPHRINE OU DE LA DOPAMINE
    申请人:OTSUKA PHARMA CO LTD
    公开号:WO2012036253A1
    公开(公告)日:2012-03-22
    A heterocyclic compound represented by the general formula (1) or a salt thereof: wherein m, l, and n respectively represent an integer of 1 or 2; X represents -O- or -CH2-; R1 represents hydrogen, a lower alkyl group, a hydroxy-lower alkyl group, a protecting group, or a tri-lower alkylsilyloxy-lower alkyl group; R2 and R3, which are the same or different, each independently represent hydrogen or a lower alkyl group; or R2 and R3 are bonded to form a cyclo-C3-C8 alkyl group; and R4 represents an aromatic group or a heterocyclic group, wherein the aromatic or heterocyclic group may have one or more arbitrary substituent(s).
    通用式(1)表示的杂环化合物或其盐:其中m、l和n分别表示1或2的整数;X表示-O-或-CH2-;R1表示氢、较低的烷基基团、羟基较低的烷基基团、保护基或三较低烷氧基较低的烷基基团;R2和R3,相同或不同,各自独立地表示氢或较低的烷基基团;或R2和R3结合形成环-C3-C8烷基基团;R4表示芳香基团或杂环基团,其中芳香基团或杂环基团可能具有一个或多个任意取代基。
  • ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND
    申请人:Samsung Electronics Co., Ltd.
    公开号:US20190326526A1
    公开(公告)日:2019-10-24
    An organometallic compound represented by Formula 1, an organic light-emitting device including the organometallic compound, and a diagnostic composition including the organometallic compound. wherein, in Formula 1, R 1 to R 12 and R 19 are the same as described in the specification.
    由公式1表示的有机金属化合物,包括该有机金属化合物的有机发光器件,以及包括该有机金属化合物的诊断组合物。在公式1中,R1至R12和R19与规范中描述的相同。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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cnmr
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

顺式-1-((2-(5-氯-2-苯并呋喃基)-4-甲基-1,3-二氧戊环-2-基)甲基)-1H-1,2,4-三唑 顺式-1-((2-(5,7-二氯-2-苯并呋喃基)-4-乙基-1,3-二氧戊环-2-基)甲基)-1H-咪唑 顺式-1-((2-(2-苯并呋喃基)-4-乙基-1,3-二氧戊环-2-基)甲基)-1H-1,2,4-三唑 霉酚酸酯杂质B 间甲酚紫 间甲基苯基(苯并呋喃-2-基)甲醇 长管假茉莉素C 金霉素 酪氨酸,b-羰基- 酞酸酐-d4 酚酞二丁酸酯 酚酞 酚红钠 酚红 邻苯二甲酸酐与马来酸酐,甘氨酰蜡素和二乙二醇的聚合物 邻苯二甲酸酐与己二醇的聚合物 邻苯二甲酸酐与三甘醇异壬醇的聚合物 邻苯二甲酸酐与2-乙基-2-羟甲基-1,3-丙二醇和2,5-呋喃二酮的聚合物 邻苯二甲酸酐与2-乙基-2-羟甲基-1,3-丙二醇、2,5-呋喃二酮和2-乙基己酸苯甲酸酯的聚合物 邻苯二甲酸酐-4-硼酸频哪醇酯 邻苯二甲酸酐,马来酸,二乙二醇,新戊二醇聚合物 邻甲酚酞 贝康唑 表灰黄霉素 螺佐呋酮 螺[苯并呋喃-3(2H),4-哌啶] 螺[异苯并呋喃-1(3H),4’-哌啶]-3-酮 螺[异苯并呋喃-1(3H),4'-哌啶]-3-酮盐酸盐 螺[异苯并呋喃-1(3H),3’-吡咯烷]-3-酮 螺[1-苯并呋喃-2,1'-环丙烷]-3-酮 薄荷内酯 莫罗卡尼 荨麻叶泽兰酮 荧光胺 苯酞-3-乙酸 苯酐二乙二醇共聚物 苯酐 苯甲酸,2-[(1,3-二羰基丁基)氨基]-,甲基酯 苯甲酸,2,2-二(羟甲基)丙烷-1,3-二醇,异苯并呋喃-1,3-二酮 苯甲酰氯化,3-甲氧基-4-甲基- 苯甲基(1-{(2-amino-2-methylpropanoyl)[(2S)-2-aminopropanoyl]amino}-2-methyl-1-oxopropan-2-yl)甲基氨基甲酸酯(non-preferredname) 苯并呋喃并[3,2-d]嘧啶-2,4(1H,3H)-二酮 苯并呋喃并[3,2-D]嘧啶-4(1H)-酮 苯并呋喃并[2,3-d]哒嗪-4(3H)-酮 苯并呋喃并(3,2-c)吡啶,1,2,3,4-四氢-2-(2-(二甲氨基)乙基)-,二盐酸 苯并呋喃与1H-茚的聚合物 苯并呋喃[3,2-b]吡咯-2-羧酸 苯并呋喃-7-羧酸 苯并呋喃-7-硼酸频那醇酯 苯并呋喃-7-甲腈