CAS: 714269-57-5; (2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-Ethoxybenzyl)Phenyl)-6-(Hydroxymethyl)-2-Methoxytetrahydro-2H-Pyran-3,4,5-Triol

• 英文名称(2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-Ethoxybenzyl)Phenyl)-6-(Hydroxymethyl)-2-Methoxytetrahydro-2H-Pyran-3,4,5-Triol
• 中文名称2-氯-5-(1-甲氧基-D-吡喃葡萄糖-I-基)-4`-乙氧基二苯甲烷
• IUPAC名称(2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
• 其它别名(2S,3R,4S,5S,6R)-2-[4-Chloro-3-(4-Ethoxybenzyl)Phenyl]-6-(Hydroxymethyl)-2-Methoxy-Tetrahydropyran-3,4,5-Triol ; Methyl 1-C-[4-Chloro-3-[(4-Ethoxyphenyl)Methyl]Phenyl]-Alpha-D-Glucopyranoside ; (1R)-2,3-Dihydro-N-2-Propynl-1H-Inden-1-Amine Methanesulfonat
• CAS编号714269-57-5
• MFCD编号:MFCD27923102
• EINECS号:615-293-6
• FDA UNII编号:BWH63G5PJQ
• 分子式:C22H27ClO7
• 分子量:438.9
• 产品CID: 1705550
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: GKTWLVVOULBRDU-BDHVOXNPSA-N
• InChI=1S/C22H27ClO7/c1-3-29-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22(28-2)21(27)20(26)19(25)18(12-24)30-22/h4-9,11,18-21,24-27H,3,10,12H…
• 计算化学: 氢键受体数7.0氢键供体数4.0可旋转键数7.0

物理性质

• 熔点>80°C (分解)
• 沸点609.6±55.0 °C at 760 mmHg
• 闪点322.5±31.5 °C
• 密度1.4±0.1 g/cm3
• pKa:12.59±0.70(预测)
• PSA:108.61
• LogP:5.58
• 折射率1.628
• 蒸汽压0.0±1.8 mmHg at 25°C
• 溶解性Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用该化合物用作DAPAGLIFLOZIN的中间体和杂质参考标准.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS08;
  注释: Exclamation mark & Health hazard
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性-重复接触 类别2
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H373 |长期或反复接触可能损害器官.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P280-P305+P351+P338
• 危险品标志Xi
• 安全声明H303+H313+H333

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 (2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-Ethoxybenzyl)Phenyl)-6-(Hydroxymethyl)-2-Methoxytetrahydro-2H-Pyran-3,4,5-Triol 主要起始原料 Methanol
• 714269-57-5 = 714269-57-5
  反应条件:1.1 Solvents: Toluene,Ethyl Acetate
  标题:Crystalline Solvates Of Amino Acid Complexes With (1S)-1,5-Anhydro-L-C-(3-((Phenyl)Methyl)Phenyl)-D-Glucitol Were Prepared As Sglt2 Inhibitors For The Treatment Of Diabetes
  参考文献:United States]
  
  90-80-2 + 461432-23-5 = 714269-57-5
  反应条件:1.1 Reagents: Chlorotrimethylsilane,4-Methylmorpholine Solvents: Tetrahydrofuran1.2 Reagents: Butyllithium Solvents: Toluene,Tetrahydrofuran,Hexane; -10 - 20 °C1.3 Solvents: Toluene; -30 - -10 °C1.4 Reagents: Hydrochloric Acid Solvents: Methanol1.5 -
  标题:Crystalline Solvates Of Amino Acid Complexes With (1S)-1,5-Anhydro-L-C-(3-((Phenyl)Methyl)Phenyl)-D-Glucitol Were Prepared As Sglt2 Inhibitors For The Treatment Of Diabetes
  参考文献:World Intellectual Property Organization

海关参考信息

• 2902600000-乙苯
  2903919090-氯苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管