1,3-Dithiane 1,3-二噻烷

CAS 505-23-7 MFCD00006654

化学结构图

505-23-7
SMILES: C1CSCSC1

化学属性

Mol. FormulaC4H8S2
Mol. Weight120.24
Melting Point52-54°C
Density1.422
Flash Point90°C
TSCANo
Boiling Point194.9°C at 760 mmHg
Stability对湿度敏感

别名和识别编码

Chemical Name1,3-Dithiane
MDL NumberMFCD00006654
PubChem Substance ID10451
Beilstein Registry Number102534
CAS Number505-23-7
EC Number208-006-7
Synonym 1,3-Dithiane {LY} 1,3-Dithiane {} {LY} 1,3-Dithiane {} {} {LY} 1,3-Dithiane {} {} {} {LY} 1,3-Dithiane {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dithiane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {}
Chemical Name Translation1,3-二噻烷
Reaxys-RN102534
LabNetwork Molecule IDLN00007305
InChIInChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2
Canonical SMILESS1CSCCC1
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分类

  • Allium sativum (Garlic), Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Nutrition Research, Others, Phytochemicals by Plant (Food/Spice/Herb), S-Containing
  • {SNA} Allium sativum (Garlic), Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Other Heterocyclic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), S-Containing, 细胞生物学, 营养研究
  • {SNA} Allium sativum (Garlic), Building Blocks, Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, Nutrition Research, Others, Phytochemicals by Plant (Food/

产品应用

  • 1,3-Dithiane was used as reagent for deoxygenation of sulfoxides to their corresponding sulfides

相关文献及参考

  • [2]. Martinez RA, et al. Synthesis of isotopically labeled 1,3-dithiane. J Labelled Comp Radiopharm. 2014 May 15;57(5):338-41.
  • Aldrich MSDS 1 , 838:A / Corp MSDS 1 (1), 1479:B / FT-IR 2 (1), 435:D / FT-IR 1 (1), 271:C / FT-NMR 1 (1), 435:A / IR-Spectra (2), 143:C / IR-Spectra (3), 160:A / NMR-Reference 2 (1), 233:B / RegBook 1 (1), 289:D / Structure Index 1 , 40:B:3 / Vapor Phase 3 , 356:D
  • Beil. 19 ,V,1,13
  • Fieser 2 ,182 / Fieser 3 ,135 / Fieser 4 ,216 / Fieser 5 ,287 / Fieser 6 ,248 / Fieser 7 ,142 / Fieser 14 ,157
  • Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540

安全信息

RTECSJO5070000
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
Packing GroupIII
UN Number UN 1325 4.1/PG 2 UN3335
Hazard Class4.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 19,461,1984

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 80 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 321,213,1994

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 800 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 321,213,1994

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

  • F:13
  • TCI Shanghai:1,3-二噻环己烷 1,3-Dithiane,>;97.0%(GC)(505-23-7)
  • Acros Organics:1,3-二噻烷 1,3-Dithiane, 97%(505-23-7)
  • 图谱信息:1,3-二噻烷(505-23-7)核磁图( 13 CNMR) 1,3-二噻烷(505-23-7)红外图谱(IR1) 1,3-二噻烷(505-23-7)质谱(MS) 1,3-二噻烷(505-23-7)红外图谱(IR2) 1,3-二噻烷(505-23-7)核磁图( 1 HNMR)
  • 用途二:用于有机合成。
  • Sigma Aldrich:505-23-7(sigmaaldrich)
  • 上游原料:乙酸 --> 氢氧化钾溶液 --> 二甲醇缩甲醛
  • 存储注意事项:湿度敏感
  • 1,3-Dithiane, a protected formaldehyde anion equivalent, serves as useful labeled synthon.
  • 用途一:由于两个硫原子之间的亚甲基的反应活性而在有机合成方面有广泛应用
  • 敏感性:Hygroscopic
  • Alfa Aesar:1,3-二噻烷,98% 1,3-Dithiane, 98%(505-23-7)
  • 方法一:将三氟化硼乙醚溶液、冰乙酸和氯仿的混合物，在剧烈搅拌下加热回流，滴加1，3-丙二硫醇和甲醛缩二甲醇-氯仿溶液。然后冷至室温。依次用水、10%氢氧化钾溶液、水洗涤。分出氯仿溶液进行干燥、浓缩，残余物溶于甲醇，加热至沸，趁热过滤，滤液冷至室温，置-20℃静置过夜，滤出结晶，真空干燥，得1，3-二噻烷。
  • MOL 文件:505-23-7.mol
  • 检测方法:GC,NMR
  • 1,3-二噻烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0119 1,3-二噻环己烷 1,3-Dithiane 25G 1490元 2014/06/02 D0119 1,3-二噻环己烷 1,3-Dithiane 5G 493元 2010/06/21 169511000 1,3-二噻烷 1,3-Dithiane 97% 100 GR 6683元
  • 海关编码:29349990
  • MSDS 信息:m-Dithiane(505-23-7).msds

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiols/Mercaptans - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  5. S-Containing - Others
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  5. O-Containing
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfur Compounds for Organic Synthesis 有机合成硫化物
  1. Functional Group 官能团索引
  2. thioacetal
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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