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6-乙基屈 | 2732-58-3

中文名称
6-乙基屈
中文别名
——
英文名称
6-ethyl-chrysene
英文别名
6-Aethyl-chrysen;6-Ethylchrysene
6-乙基屈化学式
CAS
2732-58-3
化学式
C20H16
mdl
——
分子量
256.347
InChiKey
ZJSYTTGSPQNXKT-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

  • 熔点:
    126.4-126.8 °C
  • 沸点:
    457.2±12.0 °C(Predicted)
  • 密度:
    1.141±0.06 g/cm3(Predicted)
  • 溶解度:
    可溶于氯仿(少许)、甲醇(少许)

计算性质

  • 辛醇/水分配系数(LogP):
    6.5
  • 重原子数:
    20
  • 可旋转键数:
    1
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.1
  • 拓扑面积:
    0
  • 氢给体数:
    0
  • 氢受体数:
    0

安全信息

  • 海关编码:
    2902909090

SDS

SDS:68255cb9b29c20201f9aee3ed2c9329a
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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:
    6-乙基屈盐酸二硫化碳三氯化铝 、 amalgamated zinc 、 溶剂黄146 作用下, 生成 6,12-diethyl-chrysene
    参考文献:
    名称:
    Funke; Ristic, Journal fur praktische Chemie (Leipzig 1954), 1936, vol. <2> 146, p. 151,155
    摘要:
    DOI:
  • 作为产物:
    描述:
    氢氧化钾三氯化铝一水合肼 作用下, 以 二乙二醇 为溶剂, 反应 2.0h, 生成 6-乙基屈
    参考文献:
    名称:
    Potential Leukopenia-Inducing Amines. I. 6-Amino-12-ethylchrysene
    摘要:
    DOI:
    10.1021/jo01072a018
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文献信息

  • Crysene derivatives
    申请人:Burroughs Wellcome Co.
    公开号:US04719046A1
    公开(公告)日:1988-01-12
    The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or a monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 30 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a chrysene or substituted chrysene ring system; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-3 alkyl optionally substituted by hydroxy; R.sup.8 and R.sup.9 are the same or different and each is hydrogen or C.sub.1-3 alkyl, ##STR2## is a five- or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methyl; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.
    本发明涉及化合物的公式(I)ArCH.sub.2 R.sup.1(I)或其单甲基或单乙基醚(公式(I)的这些醚物可能总共不超过30个碳原子);它们的醚,酯;酸盐;其中Ar是蒽或取代蒽环系;R.sup.1含有不超过八个碳原子,并且是一个组##STR1##其中m为0或1;R.sup.5为氢;R.sup.6和R.sup.7相同或不同,每个都是氢或C.sub.1-3烷基,可以选择性地被羟基取代;R.sup.8和R.sup.9相同或不同,每个都是氢或C.sub.1-3烷基,##STR2##是一个五元或六元饱和碳环;R.sup.10是氢,甲基或羟甲基;R.sup.11,R.sup.12和R.sup.13相同或不同,每个都是氢或甲基;R.sup.14是氢,甲基,羟基或羟甲基。
  • Crysene compound
    申请人:Burroughs Wellcome Co.
    公开号:US04719048A1
    公开(公告)日:1988-01-12
    The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or a monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 30 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a chrysene or substituted chrysene ring system; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-3 alkyl optionally substituted by hydroxy; R.sup.8 and R.sup.9 are the ame or different and each is hydrogen or C.sub.1-3 alkyl; ##STR2## is a five- or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methyl; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.
    本发明涉及化合物的公式(I)ArCH.sub.2R.sup.1(I)或其单甲基或单乙基醚(公式(I)的化合物包括这些醚,在总共不超过30个碳原子的情况下);其醚,酯;酸加成盐;其中Ar是蒽或取代蒽环系统; R.sup.1含有不超过八个碳原子,是一个组##STR1##其中m为0或1; R.sup.5为氢; R.sup.6和R.sup.7相同或不同,每个都是氢或C.sub.1-3烷基,可以选择性地被羟基取代; R.sup.8和R.sup.9相同或不同,每个都是氢或C.sub.1-3烷基; ##STR2##是一个五元或六元饱和碳环; R.sup.10为氢,甲基或羟甲基; R.sup.11,R.sup.12和R.sup.13相同或不同,每个都是氢或甲基; R.sup.14为氢,甲基,羟基或羟甲基。
  • Chrysene compound
    申请人:Burroughs Wellcome Co.
    公开号:US04810727A1
    公开(公告)日:1989-03-07
    The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or a monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 30 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a chrysene or substituted chrysene ring system; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-3 alkyl optionally substituted by hydroxy; R.sup.8 and R.sup.9 are the same or different and each is hydrogen or C.sub.1-3 alkyl; --C--C-- is a five- or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methyl; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.
    本发明涉及式(I) ArCH.sub.2R.sup.1(I)化合物或其单甲基或单乙基醚(式(I)化合物包括这些醚,总碳原子数不超过30);醚,酯;其酸加成盐;其中Ar是蒽或取代蒽环系统;R.sup.1不超过八个碳原子,是一个基团##STR1##其中m为0或1;R.sup.5是氢;R.sup.6和R.sup.7相同或不同,每个是氢或C.sub.1-3烷基,可选地被羟基取代;R.sup.8和R.sup.9相同或不同,每个是氢或C.sub.1-3烷基;--C--C--是一个五元或六元饱和碳环;R.sup.10是氢,甲基或羟甲基;R.sup.11,R.sup.12和R.sup.13相同或不同,每个是氢或甲基;R.sup.14是氢,甲基,羟基或羟甲基。
  • Chrysene derivatives
    申请人:Burroughs Wellcome Co.
    公开号:US04829090A1
    公开(公告)日:1989-05-09
    The present invention relates to compounds of formula (I) ArCH.sub.2 R.sup.1 (I) or a monomethyl or a monoethyl ether thereof (the compound of formula (I) including these ethers may contain no more than 30 carbon atoms in total); ethers, esters thereof; acid addition salts thereof; wherein Ar is a chrysene or substituted chrysene ring system; R.sup.1 contains not more than eight carbon atoms and is a group ##STR1## wherein m is 0 or 1; R.sup.5 is hydrogen; R.sup.6 and R.sup.7 are the same or different and each is hydrogen or C.sub.1-3 alkyl optionally substituted by hydroxy; R.sup.8 and R.sup.9 are the same or different and each is hydrogen or C.sub.1-3 alkyl; ##STR2## is a five- or six-membered saturated carbocyclic ring; R.sup.10 is hydrogen, methyl or hydroxymethyl; R.sup.11, R.sup.12 and R.sup.13 are the same or different and each is hydrogen or methyl; R.sup.14 is hydrogen, methyl, hydroxy, or hydroxymethyl.
    本发明涉及式(I)的化合物 ArCH.sub.2 R.sup.1(I)或其甲基或乙基单醚(包括这些醚的式(I)化合物总共不超过30个碳原子);它们的醚、酯;它们的酸加成盐;其中Ar是蒽或取代蒽环系统;R.sup.1不含超过八个碳原子,是一个基团##STR1##其中m为0或1;R.sup.5为氢;R.sup.6和R.sup.7相同或不同,每个都是氢或C.sub.1-3烷基,可选地被羟基取代;R.sup.8和R.sup.9相同或不同,每个都是氢或C.sub.1-3烷基;##STR2##是一个五元或六元饱和碳环;R.sup.10为氢、甲基或羟甲基;R.sup.11、R.sup.12和R.sup.13相同或不同,每个都是氢或甲基;R.sup.14为氢、甲基、羟基或羟甲基。
  • Funke; Ristic, Journal fur praktische Chemie (Leipzig 1954), 1936, vol. <2> 146, p. 151,155
    作者:Funke、Ristic
    DOI:——
    日期:——
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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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ir
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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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