2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine 1,5-二氮杂双环[4.3.0]壬-5-烯

CAS 3001-72-7 MFCD00005554

化学结构图

3001-72-7
SMILES: C1CN=C2CCCN2C1

化学属性

Mol. FormulaC7H12N2
Mol. Weight124.19
Refractive index1.5180 to 1.5210
Boiling Point238.3±9.0°C at 760 mmHg
Density1.005
Flash Point97.9±18.7°C
TSCANo
Solubility可溶

别名和识别编码

Chemical Name2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine
MDL NumberMFCD00005554
CAS Number3001-72-7
Synonym DBN {LY} DBN {} {LY} DBN {} {} {LY} DBN {} {} {} {LY} DBN {} {} {} {} {LY} DBN {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DBN {} {} {} {} {} {
PubChem Substance ID87567834
EC Number221-087-3
Beilstein Registry Number2417
Reaxys-RN2417
Chemical Name Translation1,5-二氮杂双环[4.3.0]壬-5-烯
LabNetwork Molecule IDLN00225713
InChIInChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2
Canonical SMILESC12=NCCCN1CCC2
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分类

  • {SNA} Chemical Synthesis, Organic Bases, Synthetic Reagents
  • {SNA} Acids & Bases, Bases, Chemical Synthesis, Organic Bases, Synthetic Reagents

相关文献及参考

  • For use of DBN in the aldol condensation, see: J. Am. Chem. Soc., 90, 3245 (1968). For esterification of thermally unstable carboxylic acids with diethyl sulfate at ambient temperature, see: Synth. Commun., 6, 89 (1976). For use in the alkylation of thiols with dihalomethanes, see: Synthesis, 952 (1980). In refluxing xylene, DBN and DBU cleave hindered esters, e.g. mesitoates, by alkyl-oxygen cleavage: Tetrahedron Lett., 3987 (1972); J. Org. Chem., 38, 1223 (1973).
  • Merck: 14,10411 Beilstein: 23,V,5,239
  • The bicyclic amidines, DBN and DBU are strong organic bases initially introduced as reagents for dehydrohalogenation in vitamin A synthesis: Chem. Ber., 99, 2012 (1966).
  • Merck: 14,10411

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P303+P361+P353+P310+P363
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P304+P340+P310
  • P301+P330+P331
  • P405 Store locked up. 上锁保管。
  • P304+P340
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P305+P351+P338
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338+P310
  • P301+P330+P331+P310
Signal word
Packing GroupII
UN Number 3267
Risk Statements
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes C
Hazard Class8

其他信息

  • 上游原料:叠氮化钠 --> 4-甲苯磺酰氯 --> 草酰氯 --> 1,2-二氯乙烷 --> 苯甲醚 --> 2-吡咯烷酮 --> 3-氯-1-丙醇
  • Alfa Aesar:1,5-二氮双环[4.3.0]壬烯,97% 1,5-Diazabicyclo[4.3.0]non-5-ene, 98%(3001-72-7)
  • 溶于水。
  • F:1-3-8-10
  • 海关编码:29335995
  • Hazard Note:Corrosive/Air Sensitive
  • 图谱信息:1,5-二氮杂双环[4.3.0]壬-5-烯(3001-72-7)核磁图( 13 CNMR) 1,5-二氮杂双环[4.3.0]壬-5-烯(3001-72-7)质谱(MS) 1,5-二氮杂双环[4.3.0]壬-5-烯(3001-72-7)核磁图( 1 HNMR) 1,5-二氮杂双环[4.3.0]壬-5-烯(3001-72-7)红外图谱(IR1)
  • MSDS 信息:1,5-Diazabicyclo[4.3.0]non-5-ene(3001-72-7).msds
  • 1,5-二氮杂双环[4.3.0]壬-5-烯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1313 1,5-二氮杂双环[4.3.0]-5-壬烯 1,5-Diazabicyclo[4.3.0]-5-nonene 250ML 4060元 2014/06/02 D1313 1,5-二氮杂双环[4.3.0]-5-壬烯 1,5-Diazabicyclo[4.3.0]-5-nonene 10ML 414元 2014/06/02 D1313 1,5-二氮杂双环[4.3.0]-5-壬烯 1,5-Diazabicyclo[4.3.0]-5-nonene 25ML 785元
  • 存储注意事项:湿度敏感;空气敏感
  • 敏感性:Air Sensitive
  • MOL 文件:3001-72-7.mol
  • Acros Organics:1,5-二叠氮双环[4.3.0]壬-5-烯 1,5-Diazabicyclo[4.3.0]non-5-ene, 98%(3001-72-7)
  • TCI Shanghai:1,5-二氮杂双环[4.3.0]-5-壬烯 1,5-Diazabicyclo[4.3.0]-5-nonene,>;98.0%(GC)(3001-72-7)
  • 下游产品:5-二苯并环庚烯酮
  • Sigma Aldrich:3001-72-7(sigmaaldrich)

系列性分类


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