866783-13-3 ((1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐,{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amine hydrochloride)

CAS号:
866783-13-3
中文名称:
(1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐
英文名称:
{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amine hydrochloride
分子式:
C12H18ClNO2
分子量:
243.729822635651

(1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐(866783-13-3)名称与标识符

名称

中文别名:
(1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐;(1S)-4,5- 二甲氧基-1-((甲基氨基)甲基)苯并环丁烷盐酸盐;(1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐(伊伐布雷定中间体);(1S)-4.5-二甲氧基-1-甲氨基甲基-苯并环丁烷盐酸盐;盐酸伊伐布雷定中间体1;盐酸伊伐布雷定主链;伊伐布雷定杂质17;伊伐布雷定中间体1;(1S)4,5-二甲氧基-1(甲基氨基甲基)-苯并环丁烷;(1s)-4.5-二甲氧基-1[(甲基氨基)甲基]苯并环丁烷盐酸盐;4,5-二甲氧基-1-(甲基氨基甲基)苯并环丁烷;盐酸伊伐布雷定;盐酸伊伐布雷啶,Ivabradine中间体, (1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐;盐酸依法布雷定;伊伐布雷定, 伊伐布雷定杂质;伊伐布雷定中间体;盐酸伊伐布雷定中间体;(1S)-4,5-二甲氧基-1-甲氨基甲基-苯并环丁烷盐酸盐(伊伐布雷定中间体);
英文别名:
(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride;(7S)-3,4-Dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-methanamine hydrochloride;(1S)-4,5-DIMETHOXY-1-(METHYLAMINOMETHYL)-BENZOCYCLOBUTANE HCL;(7S)-3,4-dimethoxy-N-methyl-Bicyclo[4.2.0]octa-1,3,5- triene-7-methanamine hydrochloride;1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine,hydrochloride;Ivabradine Intermediate Ⅰ;(S)-1-(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-N-methylmethanamine hydrochloride;Ivabradine Impurity 17;BCP10455;ST2414096;AX8043786;AB1008543;X0048;A20090;783D133;(1S)-4,;{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amine hydrochloride;Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine, 3,4-dimethoxy-N-methyl-, hydrochloride, (7S)- (9CI);(S)-N-[(4,5-Dimethoxybenzocyclobutan-1-yl)methyl]-N-methylamine hydrochloride;(S)-N-[ pound 4,5-dimethoxybenzocyclobut-1-yl pound(c)methyl ]-N-methylamine hydrochloride;SCHEMBL385259;(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane HCl;DTXSID20583027;J-500399;{[(7S)-3,4-DIMETHOXYBICYCLO[4.2.0]OCTA-1(6),2,4-TRIEN-7-YL]METHYL}(METHYL)AMINE HYDROCHLORIDE;AC-5503;JF52QM9RUB;(((7S)-3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)(methyl)amine hydrochloride;1-[(7S)-3,4-Dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-methylmethanamine hydrochloride;1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-methyl-methanamine hydrochloride;AKOS015907626;MFCD13194843;(S)-N-[(4,5-Dimethoxybenzocyclobut-1-yl)methyl]-N-methylamine hydrochloride;D70918;(1S)-4,5-Dimethoxy-1-((methylamino)methyl)benzocyclobutane hydrochloride;CS-0151042;AS-72908;UNII-JF52QM9RUB;866783-13-3;Bicyclo(4.2.0)octa-1,3,5-triene-7-methanamine, 3,4-dimethoxy-N-methyl-, hydrochloride, (7S)-;(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutaneHydrochloride;(S)-N-((4,5-Dimethoxybenzocyclobutan-1-yl)methyl)-N-methylamine hydrochloride;1-[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N-methylmethanamine--hydrogen chloride (1/1);1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride;

标识符

MDL:
MFCD13194843
InChIKey:
SWSAIQSQSDOONK-SBSPUUFOSA-N
Inchi:
1S/C12H17NO2.ClH/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9;/h5-6,9,13H,4,7H2,1-3H3;1H/t9-;/m1./s1
SMILES:
C([C@H]1CC2C=C(C(=CC1=2)OC)OC)NC.Cl

(1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐(866783-13-3)物化性质

实验特性

  • LogP : 2.75580
  • PSA : 30.49000
  • 沸点 : 338.6 °C at 760 mmHg
  • 闪点 : 158.6 °C
  • 颜色与性状 : Powder

计算特性

  • 精确分子量 : 243.10300
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 243.103
  • 重原子数量 : 16
  • 复杂度 : 210
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 30.5

(1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐(866783-13-3)海关数据

海关编码:
2942000000
海关数据:

中国海关编码:

2922199090

概述:

2922199090. 其他氨基醇及其醚,酯和它们的盐(但含一种以上含氧基的除外). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary:

2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐(866783-13-3)推荐厂家 更多厂家(97)

(1S)-4,5-二甲氧基-1-[(甲基氨基)甲基]苯并环丁烷盐酸盐(866783-13-3)合成路线

合成路线:1 步
反应条件:
参考文献:
Exploiting the Biocatalytic Toolbox for the Asymmetric Synthesis of the Heart-Rate Reducing Agent Ivabradine
Pedragosa-Moreau, Sandrine; et al, Advanced Synthesis & Catalysis, 2017, 359(3), 485-493
合成路线:2 步
反应条件:
参考文献:
Exploiting the Biocatalytic Toolbox for the Asymmetric Synthesis of the Heart-Rate Reducing Agent Ivabradine
Pedragosa-Moreau, Sandrine; et al, Advanced Synthesis & Catalysis, 2017, 359(3), 485-493