274693-53-7 (替卡格雷中间体K,benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate)

CAS号:
274693-53-7
中文名称:
替卡格雷中间体K
英文名称:
benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate
分子式:
C16H21NO5
分子量:
307.341645002365

替卡格雷中间体K(274693-53-7)名称与标识符

名称

中文别名:
N-[(3aS,4R,6S,6aR)-四氢-6-羟基-2,2-二甲基-4H-环戊烯并-1,3-二氧戊环-4-基]氨基甲酸苄酯;替卡格雷中间体K;
英文别名:
Benzyl ((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)carbamate;Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetra-hydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate;benzyl N-[(3aR,4S,6R,6aS)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate;Carbamic acid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylmethyl ester;benzyl (3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-tetrahydro-3aH-cyclopentar[d][1,3]dioxol-4-ylcarbamate;N-[(3aS,4R,6S,6aR)-Tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamicacid phenylmethyl ester;benzyl (3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate;Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate;benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate;[3aS-(3aalpha,4alpha,6alpha,6aalpha)]- (tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyc;NS00002960;P20891;Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,31dioxol-4-yl]carbamate;Phenylmethyl ester N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-Carbamic acid;Benzyl((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)carbamate;AM85694;A846830;CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester;AKOS016005436;Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-2H,3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate;phenylmethyl N-[(3aS, 4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-carbamate;[3aS-(3aalpha,4alpha,6alpha,6aalpha)]- (tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)carbamic acid phenylmethyl ester;DS-18326;DTXSID70477487;Benzyl (3 aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate;CS-M1243;MFCD21362984;EN300-7419539;SCHEMBL10249662;benzyl (3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate;VPICQZQITAJOQA-ZOBORPQBSA-N;AC-26975;274693-53-7;BENZYL N-[(3AS,4R,6S,6AR)-6-HYDROXY-2,2-DIMETHYL-TETRAHYDRO-3AH-CYCLOPENTA[D][1,3]DIOXOL-4-YL]CARBAMATE;Carbamic acid, [(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-, phenylmethyl ester (9CI); Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate;

标识符

MDL:
MFCD21362984
InChIKey:
VPICQZQITAJOQA-ZOBORPQBSA-N
Inchi:
1S/C16H21NO5/c1-16(2)21-13-11(8-12(18)14(13)22-16)17-15(19)20-9-10-6-4-3-5-7-10/h3-7,11-14,18H,8-9H2,1-2H3,(H,17,19)/t11-,12+,13+,14-/m1/s1
SMILES:
O1C(C)(C)O[C@@H]2[C@H](C[C@H]([C@H]12)NC(=O)OCC1C=CC=CC=1)O

替卡格雷中间体K(274693-53-7)物化性质

实验特性

  • LogP : 1.77050
  • PSA : 80.51000
  • 沸点 : 489.1±45.0 °C at 760 mmHg
  • 熔点 : NA
  • 蒸气压 : 0.0±1.3 mmHg at 25°C
  • 闪点 : 249.6±28.7 °C
  • 密度 : 1.28

计算特性

  • 精确分子量 : 307.14200
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 同位素质量 : 307.14197277g/mol
  • 重原子数量 : 22
  • 复杂度 : 407
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 1.3
  • 拓扑分子极性表面积 : 77

替卡格雷中间体K(274693-53-7)安全信息

替卡格雷中间体K(274693-53-7)推荐厂家 更多厂家(42)

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兰州至纯化学有限公司 18194331635张容旗 3004274414
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天门恒昌化工有限公司 15102714773
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雷经理 1178380033
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湖北鑫红利化工有限公司 15172537016
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上海瀚思化工有限公司 18939883912
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湖北信康医药化工有限公司 13476235517
13476235517
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湖北信康药化有限公司化学研究所 18827031272
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上海创赛科技有限公司 15021221957
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凌度 2852351983
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巨胜化学研究院 18064118002
027-59599240
陈盼 1400838822
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替卡格雷中间体K(274693-53-7)参考资料

Reaxys RN:
PubChem CID: