2,5-Dihydrothiophene 1,1-Dioxide 3-二氧化噻吩烯

CAS 77-79-2 MFCD00005481

化学结构图

77-79-2
SMILES: O=S1(=O)CC=CC1

化学属性

Mol. FormulaC4H6O2S
Mol. Weight118.15
Melting Point65-66 °C
Density1.314
Flash Point112°(233°F)
TSCAYes
Appearance 无色结晶体。熔点64-65.5℃。溶于水和有机溶剂。
Boiling Point190.71 °C at 760 mmHg

别名和识别编码

Chemical Name2,5-Dihydrothiophene 1,1-Dioxide
Synonym 2,5-Dihydrothiophene 1,1-dioxide {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dihydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {}
CAS Number77-79-2
PubChem Substance ID6498
EC Number201-059-7
Beilstein Registry Number107004
MDL NumberMFCD00005481
Reaxys-RN107004
Merck Number8956
Chemical Name Translation3-二氧化噻吩烯
Wiswesser Line NotationT5SW CUTJ
LabNetwork Molecule IDLN00197431
InChIInChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2
Canonical SMILESO=S1(CC=CC1)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfones, Sulfur Compounds
  • {uni_hamburg} no charge; sulfur heterocycle; alicycle; 5ring; sulfone; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfones, Sulfur Compounds

相关文献及参考

  • Convenient crystalline source of 1,3-butadiene, which is generated on heating to about 110oC: Rec. Trav. Chim., 61, 785 (1942). For an example of its use in the Diels-Alder reaction, see: Org. Synth. Coll., 6, 454 (1988).
  • Lithiation occurs at the 2-position; subsequent alkylation and thermal extrusion of SO2 gave a polyene intermediate in a synthesis of the taxane ring system: J. Org. Chem., 62, 2957 (1997).
  • In the presence of Pd(OAc)2, couples with aryldiazonium fluoroborates to give 3-aryl-4-sulfolenes which are readily isomerized with triethylamine to the 3-aryl-3-sulfolenes, providing a source of the corresponding 2-arylbutadienes: Synth. Commun., 26, 231 (1996).
  • Short: II/19b
  • Also behaves as a dienophile in with reactive dienes, for example 1,3-Diphenyl­isobenzofuran, L00101: J. Org. Chem., 34, 538 (1969).

安全信息

GHS Symbol
WGK Germany1
Hazard Codes Xi
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSXM9100000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P337+P313
Signal word Danger {} {} {} {} {TCI}
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534337

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2830 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1700 mg/kg
TOXIC EFFECTS :
   Biochemical - Metabolism (Intermediary) - effect on inflammation or
   mediation of inflammation
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 12,1568,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Gastrointestinal - changes in structure or function of esophagus
REFERENCE :

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途一:用于有机合成。
  • TCI Shanghai:3-二氧化噻吩烯 3-Sulfolene,>;98.0%(GC)(77-79-2)
  • 方法一:丁二烯、二氧化硫和适量对苯二酚在反应釜中于100℃反应12h,粗品用50℃热水重结晶,得环丁烯砜。产率80-85%。
  • Sigma Aldrich:77-79-2(sigmaaldrich)
  • 3-环丁烯砜价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0557 3-环丁烯砜 3-Sulfolene 25G 124元 2014/06/02 D0557 3-环丁烯砜 3-Sulfolene 500G 526元 2010/06/21 107615000 3-环丁烯砜 Butadiene sulfone 98% 500 GR 548元
  • 上游原料:二氧化硫 --> 1,4-苯二酚 --> 1,3-丁二烯
  • MOL 文件:77-79-2.mol
  • 图谱信息:3-环丁烯砜(77-79-2)红外图谱(IR2) 3-环丁烯砜(77-79-2)核磁图( 1 HNMR) 3-环丁烯砜(77-79-2)质谱(MS) 3-环丁烯砜(77-79-2)红外图谱(IR1) 3-环丁烯砜(77-79-2)核磁图( 13 CNMR) 3-环丁烯砜(77-79-2)红外图谱(IR3)
  • Alfa Aesar:环丁烯砜,98% 3-Sulfolene, 98%(77-79-2)
  • 下游产品:环丁砜
  • Acros Organics:3-环丁烯砜 Butadiene sulfone, 98%(77-79-2)

系列性分类


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