CAS: 79107-75-8; (S)-Tetrahydrothiophen-3-Ol

• 英文名称(S)-Tetrahydrothiophen-3-Ol
• 中文名称(S)-四氢噻吩-3-醇
• IUPAC名称(S)-tetrahydrothiophen-3-ol
• 其它别名(S)-Tetrahydrofuran-3-Ol; (S)-(+)-3-Hydroxy Tetahydro Furan; (S)-(+)-3-Hydroxytetrahydrofurane; (3S)-Tetrahydrothiophen-3-Ol; (3S)-Tetrahydrothiophene-3-Ol; 3-Furanol, Tetrahydro-, (S); Thiophene-3-Ol, Tetrahydro-, (3S)-; S-3-Hydroxytetrahydrothiophene
• CAS编号79107-75-8
• MFCD编号:MFCD00798268
• EINECS号:107-442-4
• 分子式:C4H8OS分子量:104.17
• 产品CID: 1785166
• 产品分类有机原料→分子砌块→脂肪杂环类化合物→其它脂肪杂环类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BJYXNFYVCZIXQC-BYPYZUCNSA-N
• InChI=1S/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数*

相似化合物

物理性质

• 沸点80 °C at 15 mmHg
• 闪点81.1±0.0 °C
• 密度1.1±0.1 g/cm3
• pKa:14.43±0.20(预测)
• PSA:20.23
• LogP:0.4842
• 折射率1.476
• 蒸汽压0.3±0.7 mmHg at 25°C

MSDS等安全信息

• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P403+P233-P501-
• 危险品标志Xi
• 安全声明26
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 1003-04-9 = 79107-75-8
  反应条件:1.1 Catalysts: Alcohol Dehydrogenase
  标题:Enzymes In Organic Syntheses. 19. Evaluation Of The Stereoselectivities Of Horse Liver Alcohol Dehydrogenase; Catalyzed Oxidoreductions Of Hydroxy- And Ketothiolanes,-Thianes,And -Thiepanes
  作者:Jones,J. Bryan; Schwartz,Harold M.
  参考文献:Canadian Journal Of Chemistry 日期:1981 卷标:59(11) 页码:1574-9]
  
  1120-59-8 = 79107-75-8
  反应条件:1.1 Reagents: Bis[(1R,2S,3R,5R)-2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl]Borane Solvents: Tetrahydrofuran1.2 Reagents: Acetaldehyde1.3 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Tetrahydrofuran
  标题:Chiral Synthesis Via Organoboranes. 6. Hydroboration. 74. Asymmetric Hydroboration Of Representative Heterocyclic Olefins With Diisopinocampheylborane. Synthesis Of Heterocyclic Boronates And Heterocyclic Alcohols Of Very High Enantiomeric Purity
  作者:Brown,Herbert C.; Prasad,J. V. N. Vara
  参考文献:Journal Of The American Chemical Society 日期:1986 卷标:108(8) 页码:2049-54]
  
  1003-04-9 = 79107-75-8 + 100937-75-5
  反应条件:1.1 Catalysts: Nadph,Alcohol Dehydrogenase
  标题:Catalytic Asymmetric Reduction Of Difficult-To-Reduce Ketones: Triple-Code Saturation Mutagenesis Of An Alcohol Dehydrogenase
  作者:Sun,Zhoutong; Lonsdale,Richard; Ilie,Adriana; Li,Guangyue; Zhou,Jiahai; Et Al
  参考文献:Acs Catalysis 日期:2016 卷标:6(3) 页码:1598-1605]
  
  61847-07-2 = 79107-75-8
  反应条件:1.1 Reagents: Disodium Sulfide Solvents: Acetonitrile; 14 H,Rt
  标题:Synthesis Of A Variety Of Optically Active Hydroxylated Heterocyclic Compounds Using Epoxide Hydrolase Technology
  作者:Pienaar,Daniel P.; Mitra,Robin K.; Van Deventer,Thomas I.; Botes,Adriana L.
  参考文献:Tetrahedron Letters 日期:2008 卷标:49(48) 页码:6752-6755]
  
  1003-04-9 = 79107-75-8
  反应条件:1.1 Reagents: Nadph Catalysts: Short-Chain Dehydrogenase/reductase Sdr Solvents: Isopropanol,Water; 12 H,Ph 7,30 °C
  标题:Enantioselective Regulation Of Short-Chain Dehydrogenases Via Key Sites In Its Loop And Adjacent Regions For The Enantiodivergent Reduction Of Difficult-To-Reduce Ketones
  作者:Qin,Lei; Su,Xin; Wang,Jun; Wu,Lunjie; Zou,Man; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2023 卷标:365(23) 页码:4205-4215]
  
  1003-04-9 = 79107-75-8
  反应条件:1.1 Solvents: Isopropanol,Water; 12 H,Ph 7,30 °C
  标题:Regulating The Stereoselectivity Of Medium-Chain Dehydrogenase/reductase By Creating An Additional Active Pocket Accommodating Prochiral Heterocyclic Ketones
  作者:Qin,Lei; Su,Xin; Wang,Jun; Wu,Lunjie; Zou,Man; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2023 卷标:59(87) 页码:13042-13045

海关参考信息

• 2905122000-异丙醇
  2905142000-仲丁醇
  2930909099-其他有机硫化合物
• 💡 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

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