376608-71-8 ((1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐,(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate)

CAS号:
376608-71-8
中文名称:
(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐
英文名称:
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate
分子式:
C17H17F2NO3
分子量:
321.318591833115

(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(376608-71-8)名称与标识符

名称

中文别名:
替卡格雷中间体(扁桃酸盐);(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐;反式(1R,2S)-2- (2,3-二氟苯基)环丙胺扁桃酸盐;(1R,2S)-2- (2,3-二氟苯基)环丙胺扁桃酸盐;(1R,2S)-2-(3,4-二氟苯基)环丙铵(2R)-羟基(苯基)乙酸盐;(1R,2S)-2-(3,4-二氟苯基)环丙胺;(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(1:1);(1R,2S)-2-(3,4-二氟苯基)环丙胺R-扁桃酸盐;1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐;52(1R,2S)-2-(3,4-二氟苯基)环丙胺;N-[(1S)-1-[(1S)-2-(环丙基氨基)-1-羟基-2-氧代乙基]丁基]氨基甲酸叔丁酯;替卡格雷(ticagrelor)中间体, (1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐;替卡格雷中间体;替卡格雷中间体2;替卡格雷中间体4;替卡格雷中间体7;盐酸3,2'-二甲基-4-氨联苯;(1R,2S)-2-(3,4-二氟苯基)环丙胺扁桃酸盐;(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINIUM (2R)-HYDROXY(PHENYL)ETHANOATE别名 (ALPHAR)-ALPHA-HYDROXYBENZENEACETIC ACID COMPD. WITH (1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPA;(1R,2S)-2-(3,4-二氟苯基)环丙胺/(R)-扁桃酸盐 1G;(1S,2R)-2-(3,4-二氟苯基)环丙胺扁桃酸盐(替卡格雷中间体) 50MG;
英文别名:
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetate;Benzeneacetic acid, a-hydroxy-, (aR)-, compd. with (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (1:1);(1R,2R)-2-(3,4-difluorophenyl)cyclopropanamineS-(carboxylato(phenyl)methyl)holmium;(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate;(1R,2R)-2-(3,4-Difluorophenyl) cyclopropanamine-(S)-(carboxylato (phenyl)methyl)holmium;(1R,2R)-2-(3,4-difluorophenyl) cyclopropanamine(S)-(carboxylato(phenyl) methyl)holmium;(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine,(2R)-2-hydroxy-2-phenylacetic acid;(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINIUM (2R)-HYDROXY(PHENYL)ETHANOATE;(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium-(2R)-hydroxy(phenyl)ethanoate;(1R,2S)-2-(3,4-difluorophenyl)cyclopropylamine (R)-(-)-mandelate;(1R,2S)-2-(3,4-Difluorophenyl) cyclopropylamine D-Mandelate;EX-7182;(alphaR)-alpha-Hydroxybenzeneacetic acid compd. with (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine;1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate;(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2S)-2-hydroxy-2-phenylacetic acid;(1R,2S)-2-(3,4-Difluorophenyl)cyclopropan-1-amine;(2S)-2-hydroxy-2-phenylacetic acid;CID 122164931;(1R,2R)-2-(3,4-difluorophenyl)cyclopropanamine(S)-(carboxylato(phenyl)methyl)holmium;(αR)-α-Hydroxybenzeneacetic Acid coMpd. with (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaMine;trans-(1R,2S)-2-(2,3-difluorophenyl)cyclopropylaMine Mandelat;(αR)-(1R,2S)-α-hydroxy-Benzeneacetic acid-coMpd.with 2-(3,4-difluorophenyl)cyclopropanaMine(1:1);Ticagrelor InterMediate 4;(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2R)-2-hydroxy-2-phenylacetic acid;AKOS022186450;(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2R)-2-hydroxy-2-phenylacetic acid;(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine; (R)-2-hydroxy-2-phenylacetate;(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetic acid;(1R,2S)-2-(3,4-Difluorophenyl) cyclopropanaminium (2R)-hydroxy(phenyl)ethanoat;(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine(R)-2-hydroxy-2-phenylacetate;(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine R-mandelate;UNII-TH0OSF4LF9;P12919;AS-51549;(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine (2R)-2-hydroxy-2-phenylacetic acid;MFCD21362980;GUESUQPLVFMJIT-KLTOLQSASA-N;(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine (2R)-2-hydroxy-2-phenylacetic acid;AC-27491;TH0OSF4LF9;(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2R)-2-hydroxy-2-phenylacetic acid;376608-71-8;DTXSID60433193;CS-M1881;(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine D-Mandelic acid;C17H17F2NO3;(2R)-Hydroxy(phenyl)acetic acid--(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine (1/1);

标识符

MDL:
MFCD22200985
InChIKey:
GUESUQPLVFMJIT-KLTOLQSASA-N
Inchi:
1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1
SMILES:
[C@H](C1C=CC=CC=1)(O)C(=O)O.N[C@@H]1C[C@H]1C1C=CC(F)=C(F)C=1

(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(376608-71-8)物化性质

实验特性

  • LogP : 3.28430
  • PSA : 83.55000
  • 沸点 : 395.7±22.0 °C at 760 mmHg
  • 熔点 : No data available
  • 闪点 : 193.1±22.3 °C
  • 溶解度 : DMSO (Slightly), Methanol (Slightly)
  • 颜色与性状 : No data available
  • 密度 : 1.5±0.1 g/cm3

计算特性

  • 精确分子量 : 321.11800
  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 321.11764973g/mol
  • 重原子数量 : 23
  • 复杂度 : 312
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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 : 83.6

(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(376608-71-8)国际标准相关数据

EINECS:
1308068-626-2

(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(376608-71-8)海关数据

海关编码:
2922509090
海关数据:

中国海关编码:

2922509090

概述:

2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 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

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary:

2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(376608-71-8)生产方法和用途

用途:
替卡格雷中间体。

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(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(376608-71-8)谱图信息

1H NMR300 MHzDMSO
1H NMR
13C NMR
13C NMR

(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(376608-71-8)上下游

(1R,2S)-2-(3,4-二氟苯基)环丙胺 (R)-扁桃酸盐(376608-71-8)相关文献