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6-N-乙氧甲酰-3-氯-7,8-二氢-5H-吡啶并[4,3-c]吡嗪 | 39715-99-6

中文名称
6-N-乙氧甲酰-3-氯-7,8-二氢-5H-吡啶并[4,3-c]吡嗪
中文别名
——
英文名称
ethyl 3-chloro-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate
英文别名
3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid ethyl ester;3-chloro-5,6,7,8-tetrahydro-6-pyrido[4,3-c]pyridazinecarboxylic acid ethyl ester;ethyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
6-N-乙氧甲酰-3-氯-7,8-二氢-5H-吡啶并[4,3-c]吡嗪化学式
CAS
39715-99-6
化学式
C10H12ClN3O2
mdl
MFCD07779187
分子量
241.677
InChiKey
VJSCICINBIBEOF-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:
    105-107 °C(Solv: ethanol (64-17-5))
  • 沸点:
    424.3±45.0 °C(Predicted)
  • 密度:
    1.343±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    0.9
  • 重原子数:
    16
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    55.3
  • 氢给体数:
    0
  • 氢受体数:
    4

安全信息

  • 海关编码:
    2933990090

SDS

SDS:0c735cf44e9bebb0b9f95ff51c7f8d83
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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
  • 下游产品
    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-N-乙氧甲酰-3-氯-7,8-二氢-5H-吡啶并[4,3-c]吡嗪氢气一水合肼lithium chloride 作用下, 以 乙醇 为溶剂, 45.0~120.0 ℃ 、100.0 kPa 条件下, 反应 53.0h, 生成 ethyl 3-Amino-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate
    参考文献:
    名称:
    5,6,7,8-Tetrahydropyrido[4,3-c]pyridazine: A Lead-Oriented Scaffold with Two Diversity Points
    摘要:
    An approach to the derivatives of 5,6,7,8-tetrahydropyrido[4,3-c]pyridazine, a lead-oriented scaffold with two diversity points, was developed. The method included five steps starting from the readily available 4-piperidone derivatives and allowed for the preparation of the target compounds in 32-35% overall yields. The key step of the sequence included one-pot solvent-free reaction of the corresponding 4-piperidone derivative, glyoxylic acid, and hydrazine.
    DOI:
    10.1055/s-0033-1339325
  • 作为产物:
    描述:
    ethyl 3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate三乙胺三氯氧磷 作用下, 反应 3.0h, 以92%的产率得到6-N-乙氧甲酰-3-氯-7,8-二氢-5H-吡啶并[4,3-c]吡嗪
    参考文献:
    名称:
    5,6,7,8-Tetrahydropyrido[4,3-c]pyridazine: A Lead-Oriented Scaffold with Two Diversity Points
    摘要:
    An approach to the derivatives of 5,6,7,8-tetrahydropyrido[4,3-c]pyridazine, a lead-oriented scaffold with two diversity points, was developed. The method included five steps starting from the readily available 4-piperidone derivatives and allowed for the preparation of the target compounds in 32-35% overall yields. The key step of the sequence included one-pot solvent-free reaction of the corresponding 4-piperidone derivative, glyoxylic acid, and hydrazine.
    DOI:
    10.1055/s-0033-1339325
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文献信息

  • 3-Hydrazino-cycloalkyl[c]pyridazines
    申请人:Sandoz Ltd.
    公开号:US03954754A1
    公开(公告)日:1976-05-04
    This invention provides aminopyridazine derivatives of formula I, ##SPC1## wherein R.sub.1 is amino, or an ##EQU1## group, wherein each of R.sub.3 and R.sub.4 is alkyl of 1 to 4 carbon atoms, or R.sub.3 and R.sub.4 together with the carbon atom to which they are bound, form a cycloalkylidene radical of 5 to 12 carbon atoms, R.sub.2 is hydrogen or methyl, A is a --(CH.sub.2).sub.n -- group, Wherein n is 0 or an integer from 1 to 7, or an >N--CO--R.sub.5 group, Wherein R.sub.5 is alkyl or alkenyl of 1 to 16 carbon atoms, cycloalkyl of 3 to 8 carbon atoms, 1-adamantyl, or a --(CH.sub.2).sub.m --R.sub.6 group, Wherein m is 0 or an integer from 1 to 4, and R.sub.6 is phenyl; phenyl monosubstituted by fluorine, chlorine, bromine, alkyl or alkoxy of 1 to 4 carbon atoms, alkylmercapto of 1 to 4 carbon atoms, or phenyl; phenyl substituted by two or three substituents of the group chlorine, alkyl or alkoxy of 1 to 4 carbon atoms; diphenylmethyl, the phenyl rings of which may be monosubstituted by fluorine, chlorine, bromine, alkyl or alkoxy of 1 to 4 carbon atoms; or naphthyl, Or an --OR.sub.7 group, Wherein R.sub.7 is alkyl or alkenyl of 1 to 4 carbon atoms, or phenyl, phenylalkyl or phenylalkenyl which may be monosubstituted on the phenyl ring by chlorine, alkyl or alkoxy of 1 to 4 carbon atoms, and in which the alkylene or alkenylene chain is of 1 to 4 carbon atoms, And R.sub.8 and R.sub.9 are each hydrogen or alkyl of 1 to 4 carbon atoms, And acid addition salts thereof. The invention also provides processes for the production of said compounds. Said compounds and pharmaceutically acceptable acid addition salts thereof are useful as antihypertensive agents.
    这项发明提供了式I的氨基吡啶衍生物,其中R.sub.1是氨基,或者是一个##EQU1##基团,其中R.sub.3和R.sub.4中的每一个是1至4个碳原子的烷基,或者R.sub.3和R.sub.4与它们结合的碳原子一起形成5至12个碳原子的环烷基亚甲基基团,R.sub.2是氢或甲基,A是一个--(CH.sub.2).sub.n--基团,其中n为0或1至7的整数,或者是一个>N--CO--R.sub.5基团,其中R.sub.5是1至16个碳原子的烷基或烯基,3至8个碳原子的环烷基,1-金刚烷基,或者是一个--(CH.sub.2).sub.m--R.sub.6基团,其中m为0或1至4的整数,R.sub.6是苯基;苯基单取代为氟、氯、溴、1至4个碳原子的烷基或烷氧基、1至4个碳原子的烷硫基,或苯基;苯基取代为两个或三个氯、1至4个碳原子的烷基或烷氧基的取代基;二苯甲基,其苯环可以单取代为氟、氯、溴、1至4个碳原子的烷基或烷氧基;或萘基,或者是一个--OR.sub.7基团,其中R.sub.7是1至4个碳原子的烷基或烯基,或苯基、苯基烷基或苯基烯基,它们可以在苯环上被氯、1至4个碳原子的烷基或烷氧基单取代,且烷基或烯基链为1至4个碳原子,R.sub.8和R.sub.9分别是氢或1至4个碳原子的烷基,以及它们的酸盐。该发明还提供了制备所述化合物的方法。所述化合物及其药学上可接受的酸盐作为降压药物。
  • 3-Hydrazino cycloalkyl[c]pyridazines as antihypertensive agents
    申请人:Sandoz Ltd.
    公开号:US04478837A1
    公开(公告)日:1984-10-23
    Pharmaceutical compositions comprising as the active ingredient thereof an aminopyridazine derivative of the formula: ##STR1## wherein R.sub.1 is amino, or ##STR2## wherein each of R.sub.3 and R.sub.4 is alkyl of 1 to 4 carbon atoms, or R.sub.3 and R.sub.4 together with the carbon atom to which they are bound, form a cycloalkylidene radical of 5 to 12 carbon atoms, R.sub.2 is hydrogen or methyl, A is --(CH.sub.2).sub.n --, wherein n is 0 or an integer from 1 to 7, or >N--CO--R.sub.5, wherein R.sub.5 is alkyl of 1 to 16 carbon atoms, alkenyl of 3 to 6 carbon atoms, cycloalkyl of 3 to 8 carbon atoms, 1-adamantyl, or --(CH.sub.2).sub.m --R.sub.6, wherein m is 0 or an integer from 1 to 4, and R.sub.6 is phenyl; phenyl monosubstituted by fluorine, chlorine, bromine, alkyl or alkoxy of 1 to 4 carbon atoms, alkylmercapto of 1 to 4 carbon atoms, or phenyl; phenyl substituted by two or three substitutents of the group chlorine, alkyl or alkoxy of 1 to 4 carbon atoms; diphenylmethyl, the phenyl rings of which may be monosubstituted by fluorine, chlorine, bromine, alkyl or alkoxy of 1 to 4 carbon atoms; or naphthyl, or --OR.sub.7, wherein R.sub.7 is alkyl of 1 to 4 carbon atoms, or alkenyl of 2 to 4 carbon atoms or phenyl or phenalkyl, which may be monosubstituted on the phenyl ring by chlorine, alkyl or alkoxy of 1 to 4 carbon atoms, and in which the alkylene chain of phenylalkyl is of 1 to 4 carbon atoms, R.sub.8 and R.sub.9 are each hydrogen or alkyl of 1 to 4 carbon atoms, or a pharmaceutically acceptable acid addition salt thereof are useful in the treatment of hypertension.
    含有氨基吡啶衍生物的制剂,其作为活性成分的化学式如下:##STR1##其中R.sub.1是氨基或##STR2##其中R.sub.3和R.sub.4中的每一个是1到4个碳原子的烷基,或者R.sub.3和R.sub.4与它们所连接的碳原子形成5到12个碳原子的环烷基,R.sub.2是氢或甲基,A是--(CH.sub.2).sub.n--,其中n为0或1到7的整数,或者>N--CO--R.sub.5,其中R.sub.5是1到16个碳原子的烷基,3到6个碳原子的烯基,3到8个碳原子的环烷基,1-金刚烷基,或--(CH.sub.2).sub.m--R.sub.6,其中m为0或1到4的整数,R.sub.6是苯基;单取代为氟、氯、溴、1到4个碳原子的烷基或烷氧基、1到4个碳原子的烷硫基或苯基的苯基;取代为两个或三个氯、1到4个碳原子的烷基或烷氧基的苯基;苯基甲基,其苯环可能单取代为氟、氯、溴、1到4个碳原子的烷基或烷氧基;或萘基,或--OR.sub.7,其中R.sub.7是1到4个碳原子的烷基,2到4个碳原子的烯基或苯基或苯基烷基,它可能在苯环上被氯、1到4个碳原子的烷基或烷氧基单取代,苯基烷基的烷基链为1到4个碳原子,R.sub.8和R.sub.9各自为氢或1到4个碳原子的烷基,或其药学上可接受的酸盐,在治疗高血压方面有用。
  • SCHENKER E.; SALZMANN R., ARZZNEIMITTEL-FORSCH., 1979, 29, NO 12, 1835-1843
    作者:SCHENKER E.、 SALZMANN R.
    DOI:——
    日期:——
  • US3954754A
    申请人:——
    公开号:US3954754A
    公开(公告)日:1976-05-04
  • US4478837A
    申请人:——
    公开号:US4478837A
    公开(公告)日:1984-10-23
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