CAS: 97-39-2; 1,3-Di-O-Tolylguanidine

• 英文名称1,3-Di-O-Tolylguanidine
• 中文名称二甲苯胍
• IUPAC名称1,3-di-o-tolylguanidine
• 其它别名1,3-Di-o-tolylguanidine
• CAS编号97-39-2
• MFCD编号:MFCD00008513
• EINECS号:202-577-6
• FDA UNII编号:LL2P01I17O
• 分子式:C15H17N3
• 分子量:239.32
• 产品CID: 2021236
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: OPNUROKCUBTKLF-UHFFFAOYSA-N
• InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)…
• 计算化学: 氢键受体数1.0氢键供体数3.0可旋转键数2.0

物理性质

• 熔点176-178 °C
• 沸点396.1±45.0 °C at 760 mmHg
• 闪点193.3±28.7 °C
• 密度1.1±0.1 g/cm3
• pKa:10.32±0.10(预测)
• PSA:47.91
• LogP:3.76221
• 折射率1.585
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Water: Soluble70mg/mL At 20°c
• 敏感性避免与强氧化剂接触。本品低毒，味微苦，无臭。在硫化温度下特别是高于临界温度时十分活泼，且硫化平坦性较好。溶于氯仿、丙酮、乙醇，微溶于苯，不溶于汽油和水。
• 外观形态白色固体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用1. 促进剂DOTG (97-39-2)为胍类硫化促进剂,可用于天然橡胶,二烯类合成橡胶.其活性与促进剂D(二苯胍)极为的相似.在操作温度下活性很小,且操作十分安全.硫化的临界温度为141°C,在硫化温度下,特别是高于临界温度时十分活泼,且硫化平坦性较好.2.该产品是酸性促进剂,尤其是噻唑类,次磺酰胺类促进剂的重要活性剂,而且与促进剂M并用有超促进剂的效果.3. 促进剂DOTG (97-39-2)主要适用于胎面胶,厚壁制品,缓冲层,胶辊覆盖胶等.当作第一促进剂时用量一般为0.8～1.5份,而当作噻唑类促进剂的第二促进剂时用量为0.1～0.5份.
• 性质描述促进剂DOTG (97-39-2)的性状:1.白色粉末;2.味微苦,无臭;3.熔点179°C.相对密度1.01～1.02;4.溶于氯仿,丙酮,乙醇,微溶于苯,不溶于汽油和水.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别3(经口)
  水生慢性毒性 类别3
  严重眼刺激 类别2
  急性毒性 类别4(经口)
  急性毒性 类别3(吸入)
  皮肤腐蚀 类别1A
  皮肤致敏 类别1
  水生慢性毒性 类别2
  生殖毒性 类别2
  致癌性 类别1A
  特定目标器官毒性-单次接触 类别1
  特定目标器官毒性-重复接触 类别2
  水生急性毒性 类别1
• 警示词Danger(危险)
• 危险描述H301 |吞咽会中毒.
  H412 |对水生生物有害并具有长期持续影响.
  H319 |造成严重眼刺激.
  H302 |吞咽有害.
  H331 |吸入会中毒.
  H314 |造成严重皮肤灼伤和眼损伤.
  H317 |可能引起皮肤过敏反应.
  H411 |对水生生物有毒并具有长期持续影响.
  H361 |怀疑对生育能力或胎儿造成损害.
  H350 |可能致癌.
  H370 |损害器官.
  H373 |长期或反复接触可能损害器官.
  H400 |对水生生物毒性极大.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级6.1(b)
• UN编号UN 2811
• 危险品标志Xn
• 包装等级III
• 安全声明26-36
• 危险类别码22
• WGK Germany3

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 Di-O-Tolylguanidine 主要起始原料 2-Bromotoluene And Guanidine Nitrate
• 137-97-3 = 97-39-2
  反应条件:1.1 Reagents: Triethylamine,Ammonia Catalysts: Silica,Copper Sulfate Solvents: Tetrahydrofuran
  标题:An Expedient Synthesis Of Substituted Guanidines
  作者:Ramadas,Krishnamurthy; Srinivasan,Natarajan
  参考文献:Tetrahedron Letters 日期:1995 卷标:36(16) 页码:2841-4]
  
  615-37-2 + 113-00-8 = 97-39-2
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Sarcosine,Cuprous Iodide Solvents: Acetonitrile; 8 H,70 °C
  标题:Synthesis Of Symmetrical And Unsymmetrical N,N'-Diaryl Guanidines Via Copper/n-Methylglycine-Catalyzed Arylation Of Guanidine Nitrate
  作者:Xing,Hui; Zhang,Ye; Lai,Yisheng; Jiang,Yongwen; Ma,Dawei
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(12) 页码:5449-5453]
  
  137-97-3 = 97-39-2
  反应条件:1.1 Reagents: Ammonia,Oxygen
  标题:Preparation Of N,N'-Disubstituted Guanidines
  参考文献:Federal Republic Of Germany]
  
  = 97-39-2 [标题:Reaction Conditions
  标题:Lac Sulfur On Alumina-Triethanolamine - An Effective Reagent For The Synthesis Of Substituted Guanidines
  作者:Krishnamurthy Ramadas
  参考文献:Tetrahedron Letters 日期:1996 卷标:37(29) 页码:5161-5162]
  
  = 97-39-2 [标题:Reaction Conditions
  标题:Preparation Of N,N'-Disubstituted Guanidines As Sigma Receptor Ligands
  参考文献:World Intellectual Property Organization]
  
  = 97-39-2 [标题:Reaction Conditions
  标题:Some Extensions Of The Von Braun (Cyanogen Bromide) Reaction On Organic Bases
  作者:Siddiqui,Salimuzzaman; Ahmad,S. Salman; Haider,S. Imtiaz
  参考文献:Pakistan Journal Of Scientific And Industrial Research 日期:1987 卷标:30(3) 页码:163-81]
  
  = 97-39-2 [标题:Reaction Conditions
  标题:The Connection Between The Chemical Constitution And The Accelerator Action Of The Diarylthioureas And Diarylguanidines
  作者:Naunton,W. J. S.
  参考文献:Journal Of The Society Of Chemical Industry 日期:1926 卷标:(1926) 页码:376-84]
  
  615-37-2 + 113-00-8 = 97-39-2
  反应条件:1.1 Reagents: Tripotassium Phosphate,N,N-Diethyl-2-Hydroxybenzamide Catalysts: Cuprous Iodide Solvents: Acetonitrile; 24 H,80 °C
  标题:N,N'-Di-P-Bromophenyl Guanidine Treatment For Stroke At Delayed Timepoints
  参考文献:World Intellectual Property Organization]
  
  615-37-2 + 113-00-8 = 97-39-2
  反应条件:1.1 Reagents: Tripotassium Phosphate,N,N-Diethyl-2-Hydroxybenzamide Catalysts: Cuprous Iodide Solvents: Acetonitrile; Rt -> 80 °C; 24 H,80 °C
  标题:Copper-Catalyzed Guanidinylation Of Aryl Iodides: The Formation Of N,N'-Disubstituted Guanidines
  作者:Cortes-Salva,Michelle; Nguyen,Be-Lan; Cuevas,Javier; Pennypacker,Keith R.; Antilla,Jon C.
  参考文献:Organic Letters 日期:2010 卷标:12(6) 页码:1316-1319]
  
  = 97-39-2
  反应条件:1.1 Solvents: Ethanol; 0 °C; 1.5 H,Reflux
  标题:Synthesis Of Tolyl Guanidine As Copper Corrosion Inhibitor With A Complementary Study On Electrochemical And In Silico Evaluation
  作者:Abdou,Moaz M.; El-Haddad,Mahmoud N.
  参考文献:Scientific Reports 日期:2022 卷标:12(1)]
  
  137-97-3 = 97-39-2
  反应条件:1.1 Reagents: Ammonia Solvents: Tetrahydrofuran1.2 Reagents: Benzenemethanaminium,N,N,N-Triethyl-,Salt With Permanganic Acid (Hmno4) (1:1)
  标题:Role Of Quaternary Ammonium Permanganates In The Synthesis Of Substituted Guanidines. A Comparative Study
  作者:Srinivasan,N.; Ramadas,K.
  参考文献:Tetrahedron Letters 日期:2001 卷标:42(2) 页码:343-346]
  
  137-97-3 = 97-39-2
  反应条件:1.1 Reagents: Ammonia Solvents: Dimethylformamide,Water1.2 Reagents: Sodium Periodate Solvents: Water1.3 Reagents: Sodium Hydroxide Solvents: Water
  标题:A Short And Concise Synthesis Of Guanidines
  作者:Ramadas,K.; Janarthanan,N.; Pritha,R.
  参考文献:Synlett 日期:1997 卷标:(9) 页码:1053-1054]
  
  63082-66-6 = 97-39-2
  反应条件:1.1 Reagents: Nickel
  标题:Raney Nickel Desulfuration Of Cyclic Nitrogen And Sulfur Containing Compounds. Desulfuration Of 1,2,4-Thiadiazolidines
  作者:Ali,M. Umar; Paranjpe,M. G.
  参考文献:Journal Of The Indian Chemical Society 日期:1986 卷标:63(2) 页码:253-5]
  
  = 97-39-2 [标题:Reaction Conditions
  标题:N,N'-Diarylguanidines
  作者:Daescu,C.
  参考文献:Chemical Bulletin Of The Technical University Of Timisoara 日期:1991 卷标:36(50) 页码:105-11]
  
  63209-22-3 = 97-39-2 [标题:Reaction Conditions
  标题:Oxidation Of Mixtures Of Thioureas: Part V. Formation Of 4-Aryl-3-Arylamino-5-Arylimino-1,2,4-δ2-Thiadiazolines
  作者:Joshua,C. P.; Rajasekharan,K. N.
  参考文献:Indian Journal Of Chemistry 日期:1976 卷标:(1976) 页码:967-70]
  
  = 97-39-2 [标题:Reaction Conditions
  标题:Synthesis And Pharmacological Evaluation Of Potent And Enantioselective σ1 And σ2 Ligands
  作者:Marrazzo,Agostino; Prezzavento,Orazio; Pasquinucci,Lorella; Vittorio,Franco; Ronsisvalle,Giuseppe
  参考文献:Farmaco 日期:2001 卷标:56(3) 页码:181-189]
  
  = 97-39-2 [标题:Reaction Conditions
  标题:Sigma Receptor Agonist Disturbance-Of-Consciousness Improving Agents,Their Preparation,And Pharmaceutical Compositions Containing Them
  参考文献:United States]
  
  = 97-39-2 [标题:Reaction Conditions
  标题:Some Extensions Of Von Braun (Cyanogen Bromide) Reaction On Organic Bases
  作者:Siddiqui,Salimuzzaman; Ahmad,S. Salman; Haider,S. Imtiaz
  参考文献:Proceedings Of The Pakistan Academy Of Sciences 日期:1988 卷标:25(3) 页码:231-40

海关参考信息

• 2902300000-甲苯
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管