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2-(氯甲基)-6,6-二甲基双环[3.1.1]庚-2-烯 | 30897-76-8

中文名称
2-(氯甲基)-6,6-二甲基双环[3.1.1]庚-2-烯
中文别名
——
英文名称
myrtenyl chloride
英文别名
3-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene;Bicyclo[3.1.1]hept-2-ene, 2-(chloromethyl)-6,6-dimethyl-;2-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
2-(氯甲基)-6,6-二甲基双环[3.1.1]庚-2-烯化学式
CAS
30897-76-8
化学式
C10H15Cl
mdl
MFCD19237150
分子量
170.682
InChiKey
HJMBBNXCSKYLPS-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):
    2.9
  • 重原子数:
    11
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.8
  • 拓扑面积:
    0
  • 氢给体数:
    0
  • 氢受体数:
    0

SDS

SDS:bb1c6eba640e4c8e831f63f82b4b59c4
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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:
    2-(氯甲基)-6,6-二甲基双环[3.1.1]庚-2-烯六甲基磷酰三胺 、 nickelocene 四氯化硅1,1,2-三氯-1,2,2-三甲基二硅烷1,2-二甲基-1,1,2,2-四氯二硅烷 作用下, 反应 100.0h, 以85%的产率得到Trichloro-(6,6-dimethyl-bicyclo[3.1.1]hept-2-en-2-ylmethyl)-silane
    参考文献:
    名称:
    一步式区域特异性合成烯丙基硅烷-扩展至苄基硅烷
    摘要:
    烯丙基三氯硅烷是在工业甲基氯二硅烷馏分存在下,根据烯丙基氯与SiCl 4和NiCp 2 / HMPA(催化剂)的反应,按照一步区域特异性方法制备的。类似地获得4个苄基三卤硅烷。
    DOI:
    10.1016/s0040-4039(00)92798-9
  • 作为产物:
    描述:
    桃金娘烯醇 在 potassium hydride 、 五氯化铌 作用下, 以 1,4-二氧六环 为溶剂, 以67%的产率得到Pinocarvylchlorid
    参考文献:
    名称:
    通过 NbCl5-和 NbBr5-介导的醇盐重排合成烯丙基和艾伦卤化物
    摘要:
    将NbCl 5或 NbBr 5 添加到一系列镁、锂或钾的烯丙基或炔丙基醇盐中直接提供烯丙基或烯丙基卤化物。卤化通过金属-卤-[3,3] 重排正式发生,尽管协同、离子和直接置换机制似乎具有竞争性。烯烃的转位对于通过亲核加成、去质子化或还原制备的烯丙基醇盐同样有效。实验上,五卤化铌卤化反应迅速,萃取后可提供基本纯的 ( E )-烯丙基或烯丙基卤化物,适用于一系列脂肪族和芳香族醇、醛和酮。
    DOI:
    10.1021/jo901287f
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文献信息

  • Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents
    申请人:Bayer Corporation
    公开号:US06353006B1
    公开(公告)日:2002-03-05
    This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.
    这项发明涉及2-芳基亚胺杂环化合物,包括2-芳基亚胺-1,3-噻唑啉、2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪、2-芳基亚胺-1,3-噻唑啉-4-酮、2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉,以及它们在调节孕激素受体介导的过程中的应用,以及用于这类治疗的药物组合物。
  • Heterogeneous fluorination of allylic halides by the combination of lead fluoride and a sodium salt
    作者:Junko Ichihara、Yoshio Takai、Terukiyo Hanafusa、Kiyoshi Tomioka
    DOI:10.1016/0022-1139(94)03161-r
    日期:1995.3
    composite solid reagent consisting of lead(II) fluoride and a small amount of sodium bromide has been found to facilitate the fluorination of allylic halides in acetonitrile to afford a mixture of the corresponding and rearranged fluorides in the ratio of 1:1 to 1:2. Such allylic rearrangement is not observed when KF/18-crown-6 or tetrabutylammonium fluoride are employed.
    已发现由氟化铅(II)和少量溴化钠组成的复合固体试剂有助于在乙腈中氟化烯丙基卤化物,从而以1:1至1:1的比例提供相应的和重排的氟化物的混合物。 2。当使用KF / 18-crown-6或氟化四丁基铵时,未观察到这种烯丙基重排。
  • Imidazole derivatives and salts thereof and pharmaceutical formulations
    申请人:Burroughs Wellcome Co.
    公开号:US04328234A1
    公开(公告)日:1982-05-04
    Imidazoles of formula (I) ##STR1## wherein A is a chemical bond or a straight or branched, saturated or unsaturated, aliphatic residue having from 1 to 6 carbon atoms wherein 1, 2 or 3 of such carbon atoms may be replaced by a corresponding number of heteroatoms selected from oxygen, sulphur and nitrogen providing (in the case of 2 or 3 heteroatoms) that any such heteroatom is not located adjacent to a further such heteroatoms or heteroatoms R is a fused, saturated or unsaturated, non-aromatic carbocyclic, polycyclic ring system; a saturated or unsaturated, carbocyclic spirocyclic ring system, optionally containing one or more ring heteroatoms selected from oxygen, sulphur and nitrogen; or a saturated or unsaturated, carbocyclic bridged-polycyclic ring system, optionally containing one or more ring heteroatoms selected from oxygen, sulphur and nitrogen and having one or more bridges; or AR together represent a straight or branched, saturated or unsaturated, aliphatic residue having 3 to 6 carbon atoms, wherein 1, 2 or 3 of such carbon atoms may be replaced by a corresponding number of heteroatoms selected from oxygen, sulphur and nitrogen providing (in the case of 2 or 3 heteroatoms) that any such heteroatom is not located adjacent to a further such heteroatom or heteroatoms; which aliphatic residue is substituted by at least two groups, which may be the same or different, selected from the groups specified for R above. and acid addition salts and pharmaceutically acceptable bioprecursors thereof. Methods of preparing the imidazoles are disclosed. The imidazoles and their acid addition salts and bioprecursors are useful in the treatment or prophylaxis of thrombo-embolic conditions.
    Imidazoles的化学式(I)##STR1##其中A是化学键或直链或支链、饱和或不饱和的、具有1至6个碳原子的脂肪残基,其中这些碳原子中的1、2或3个可以被氧、硫和氮等异原子取代,提供(在2或3个异原子的情况下)任何这样的异原子不位于另一个这样的异原子或异原子旁边R是融合的、饱和的或不饱和的、非芳香性碳环多环环系统;一个饱和或不饱和的、碳环螺环系统,可选地含有一个或多个氧、硫和氮等环异原子;或者是一个饱和或不饱和的、碳环桥联多环环系统,可选地含有一个或多个氧、硫和氮等环异原子并具有一个或多个桥梁;或者AR一起表示一个直链或支链、饱和或不饱和、具有3至6个碳原子的脂肪残基,其中这些碳原子中的1、2或3个可以被氧、硫和氮等异原子取代,提供(在2或3个异原子的情况下)任何这样的异原子不位于另一个这样的异原子或异原子旁边;这种脂肪残基被至少两个可能相同或不同的从上述R中指定的基团取代。其酸盐和药学上可接受的生物前体。揭示了制备咪唑的方法。咪唑及其酸盐和生物前体在治疗或预防血栓栓塞症方面是有用的。
  • Prevention of thrombolic disorder with imidazole derivatives and salts
    申请人:——
    公开号:US04525475A1
    公开(公告)日:1985-06-25
    1-Substituted imidazoles having the formula ##STR1## wherein A is a chemical bond or a straight or branched, saturated or unsaturated, aliphatic residue having from 1 to 6 carbon atoms wherein 1, 2 or 3 of such carbon atoms may be replaced by a corresponding number of heteroatoms selected from oxygen, sulphur and nitrogen; R is a fused, saturated or unsaturated, non-aromatic carbocyclic, polycyclic ring system; a saturated or unsaturated carbocyclic spirocyclic ring system, optionally containing one or more ring heteroatoms selected from oxygen, sulphur and nitrogen; or a saturated or unsaturated, carbocyclic bridged-polycyclic ring system, optionally containing one or more ring heteroatoms selected from oxygen, sulphur and nitrogen and having one or more bridges; or AR together represent a straight or branched, saturated or unsaturated, aliphatic residue having 3 to 6 carbon atoms, wherein 1, 2 or 3 such carbon atoms may be replaced by a corresponding number of heteroatoms selected from oxygen, sulphur and nitrogen providing (in the case of 2 or 3 heteroatoms) that any such heteroatom is not located adjacent to a further such heteroatom or heteroatoms; which aliphatic residue is substituted by at least two groups, which may be the same or different, selected from the groups specified for R above. These imidazoles have an inhibitory effect on thromboxane A.sub.2 synthetase and are therefore useful in the treatment of thromboses, myocardial infarctions and ischaemic peripheral vascular disease.
    具有以下式子的1-取代咪唑:##STR1## 其中A是化学键或具有1至6个碳原子的直链或支链、饱和或不饱和的脂肪基残基,其中1、2或3个碳原子可以被来自氧、硫和氮的相应数量的杂原子替换;R是融合的、饱和或不饱和的非芳香族碳环、多环环系统;一个饱和或不饱和的碳环螺环系统,可以包含一个或多个来自氧、硫和氮的环杂原子;或者是一个饱和或不饱和的碳环桥联多环环系统,可以包含一个或多个来自氧、硫和氮的环杂原子并具有一个或多个桥;或者AR一起表示具有3至6个碳原子的直链或支链、饱和或不饱和的脂肪残基,其中1、2或3个碳原子可以被来自氧、硫和氮的相应数量的杂原子替换,前提是(对于2或3个杂原子)任何这样的杂原子不位于进一步的这样的杂原子或杂原子旁边;该脂肪残基由至少两个基团取代,这些基团可以是相同的或不同的,从上述R基团中指定的基团中选择。这些咪唑对血栓素A.sub.2合成酶具有抑制作用,因此在治疗血栓、心肌梗死和缺血性外周血管疾病方面有用。
  • 1-substituted imidazoles, and salts thereof, a method for their preparation and pharmaceutical formulations thereof
    申请人:THE WELLCOME FOUNDATION LIMITED
    公开号:EP0015002A1
    公开(公告)日:1980-09-03
    Imidazoles of formula (I) wherein A is a chemical bond or a straight or branched, saturated or unsaturated, aliphatic residue having from 1 to 6 carbon atoms, optionally substituted and/or optionally including 1, 2 or3 heteroatoms selected from oxygen, sulphur and nitrogen providing (in the case of 2 or 3 heteroatoms) that any such heteroatom is not located adjacent to a further such heteroatom or heteroatoms, the total number of said carbon atoms and heteroatoms not exceeding 6. R is a fused, saturated or unsaturated, non-aromatic carbocyclic, bi- or tri-cyclic ring system providing that when R is a 9- decahydronaphthyl group, A does not represent a carbonyl group, a saturated or unsaturated, carbocyclic spirocyclic ring system, optionally containing one or more ring heteroatoms selected from oxygen, sulphur and nitrogen; or a saturated or unsaturated. carbocyclic bridged-polycyclic ring system, optionally containing one or more ring heteroatoms selected from oxygen, sulphur and nitrogen and having one or more bridges providing that when R is an adamantanyl group, A does not represent an ethylene radical (-(CH2)2-) substituted at the carbon atom a to the adamantanyl group by a hydroxy, oxo, ether or thioether grouping; or AR together represent a straight or branched, saturated or unsaturated, aliphatic residue having 3 to 6 carbon atoms, optionally substituted and/or optionally including 1, 2 or 3 heteroatoms selected from oxygen, sulphur and nitrogen providing (in the case of 2 or 3 heteroatoms) that any such heteroatom is not located adjacent to a further such heteroatom or heteroatoms, the total number of said carbon and heteroatoms not exceeding 6; which aliphatic residue is substituted by at least two groups, which may be the same or different, selected from the groups specified for R above and acid addition salts and pharmaceutically acceptable bioprecursors thereof. Methods of preparing the imidazoles are disclosed The imidazoles and their acid addition salts an bioprecur. sors are useful in the treatment of prophylaxis of thrombo- embolic conditions.
    式(I)的咪唑 其中 A 是化学键或直链或支链、饱和或不饱和、脂肪族残基,具有 1 至 6 个碳原子,任选被取代和/或任选包括 1、2 或 3 个选自氧、硫和氮的杂原子,条件是(在 2 或 3 个杂原子的情况下)任何此类杂原子不与另一个或多个此类杂原子相邻,所述碳原子和杂原子的总数不超过 6。 R 是融合的、饱和或不饱和的、非芳香族碳环、双环或三环的环系统,但当 R 是 9-十氢萘基时,A 不代表羰基、饱和或不饱和的碳环螺环系统,可选地含有一个或多个选自氧、硫和氮的环杂原子;或饱和或不饱和的碳环桥聚环系统。(b) 碳环桥式多环环系统,可选择含有一个或多个选自氧、硫和氮的环杂原子,并 具有一个或多个桥,条件是当 R 为金刚烷基时,A 不代表在金刚烷基的碳原子 a 处被羟基、氧代、醚或硫醚基团取代的乙烯基 (-(CH2)2-);或 AR 共同代表直链或支链、饱和或不饱和、具有 3 至 6 个碳原子的脂族残基,可选被取代和/或可选包括 1、2 或 3 个选自氧、硫和氮的杂原子,前提是(在 2 或 3 个杂原子的情况下)任何此类杂原子不与另一个或多个此类杂原子相邻,所述碳原子和杂原子的总数不超过 6;该脂肪族残基被至少两个基团取代,这两个基团可以相同或不同,选自上述 R 所指的基团及其酸加成盐和药学上可接受的生物前体。 已公开咪唑的制备方法 咪唑类及其酸加成盐和生物前体可用于血栓栓塞的预防治疗。
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