CAS: 80756-85-0; (Z)-S-2-Benzothiazolyl 2-Amino-Alpha-(Methoxyimino)-4-Thiazolethiolacetate

• 英文名称(Z)-S-2-Benzothiazolyl 2-Amino-Alpha-(Methoxyimino)-4-Thiazolethiolacetate
• 中文名称AE-活性酯
• IUPAC名称S-(benzo[d]thiazol-2-yl) (Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate
• 其它别名A-82; 2-Amino-Alpha-(Methoxyimino)-4-Thiazoleethanethioic Acid S-2-Benzothiazolyl Ester; Pyridine,1-Dimethylethyl)-; S-(2-Benzothiazolyl) (Z)-2-(2-Amino-4-Thiazolyl)-2-(Methoxyimino)Thioacetate; 2-(2-Aminothiazol-4-yl)-S-(2-Benzothiazoleyl)-
• CAS编号80756-85-0
• MFCD编号:MFCD00071547
• EINECS号:279-540-6
• FDA UNII编号:96SMK1EX8X
• 分子式:C13H10N4O2S3
• 分子量:350.45
• 产品CID: 1802660
• 产品分类医药中间体 → 原料药中间体

• 相似结构搜索
• 产品信息参考;;
• InChIKey: COFDRZLHVALCDU-YVLHZVERSA-N
• InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-…
• 计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数5.0

物理性质

• 熔点128-130  °C(文献)
• 沸点563.2±42.0 °C at 760 mmHg
• 闪点294.4±27.9 °C
• 密度1.6±0.1 g/cm3
• pKa:1.22±0.10(预测)
• PSA:172.24
• LogP:3.63
• 折射率1.800
• 蒸汽压0.0±1.5 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态淡黄色固体
• 储存条件冰箱, 置于惰性气氛下
• 产品应用用于制造头孢噻肟;头孢三嗪;头孢曲松;头孢他美酯等先锋类药.
• 性质描述淡黄色结晶粉末.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 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2
  水生慢性毒性 类别3
  呼吸道致敏 类别1
  皮肤致敏 类别1
• 警示词Warning(警告)
• 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.
  H412 |对水生生物有害并具有长期持续影响.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H317 |可能引起皮肤过敏反应.
• 防范说明P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
• UN编号3077
• 危险品标志Xi
• 安全声明26-37/39
• 危险类别码36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 65243-08-5 = 80756-85-0
  反应条件:1.1 Reagents: N,N-Dimethylaniline Solvents: Dichloromethane; 1 H,Rt; 2 H,30 - 35 °C; Cooled1.2 Reagents: Water; Cooled2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Rt; 3.5 H,35 °C; 0.5 H,35 °C; 35 °C -> 5 °C2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2.8 - 3.0,0 - 5 °C; 0.5 H,0 - 5 °C3.1 Reagents: Triethylamine,Triethyl Phosphite Solvents: Acetonitrile; 3 H,Rt
  标题:An Improved Procedure For The Preparation Of 2-(2-Aminothiazol-4-Y1)-2-(Z)-Methoxyiminoacetic Acid S-Benzothiazolyl Thioester
  作者:Li,Ai-Jun; Et Al
  参考文献:Jingxi Huagong 日期:2005 卷标:22(10) 页码:792-794]
  
  105-45-3 = 80756-85-0
  反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid Solvents: Water; Rt -> 5 °C; 1.5 H,0 - 5 °C; 1 H,0 - 5 °C2.1 Solvents: Water; Rt -> 30 °C; 1.5 H,25 - 30 °C; 1 H,25 - 30 °C3.1 Reagents: Bromine Solvents: Dichloromethane; Rt -> 40 °C; 1 H,40 °C; 2 H,40 °C; 40 °C -> Rt4.1 Reagents: N,N-Dimethylaniline Solvents: Dichloromethane; 1 H,Rt; 2 H,30 - 35 °C; Cooled4.2 Reagents: Water; Cooled5.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Rt; 3.5 H,35 °C; 0.5 H,35 °C; 35 °C -> 5 °C5.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2.8 - 3.0,0 - 5 °C; 0.5 H,0 - 5 °C6.1 Reagents: Triethylamine,Triethyl Phosphite Solvents: Acetonitrile; 3 H,Rt
  标题:An Improved Procedure For The Preparation Of 2-(2-Aminothiazol-4-Y1)-2-(Z)-Methoxyiminoacetic Acid S-Benzothiazolyl Thioester
  作者:Li,Ai-Jun; Et Al
  参考文献:Jingxi Huagong 日期:2005 卷标:22(10) 页码:792-794]
  
  65243-09-6 = 80756-85-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Rt; 3.5 H,35 °C; 0.5 H,35 °C; 35 °C -> 5 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2.8 - 3.0,0 - 5 °C; 0.5 H,0 - 5 °C2.1 Reagents: Triethylamine,Triethyl Phosphite Solvents: Acetonitrile; 3 H,Rt
  标题:An Improved Procedure For The Preparation Of 2-(2-Aminothiazol-4-Y1)-2-(Z)-Methoxyiminoacetic Acid S-Benzothiazolyl Thioester
  作者:Li,Ai-Jun; Et Al
  参考文献:Jingxi Huagong 日期:2005 卷标:22(10) 页码:792-794]
  
  65243-07-4 = 80756-85-0
  反应条件:1.1 Reagents: Bromine Solvents: Dichloromethane; Rt -> 40 °C; 1 H,40 °C; 2 H,40 °C; 40 °C -> Rt2.1 Reagents: N,N-Dimethylaniline Solvents: Dichloromethane; 1 H,Rt; 2 H,30 - 35 °C; Cooled2.2 Reagents: Water; Cooled3.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Rt; 3.5 H,35 °C; 0.5 H,35 °C; 35 °C -> 5 °C3.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2.8 - 3.0,0 - 5 °C; 0.5 H,0 - 5 °C4.1 Reagents: Triethylamine,Triethyl Phosphite Solvents: Acetonitrile; 3 H,Rt
  标题:An Improved Procedure For The Preparation Of 2-(2-Aminothiazol-4-Y1)-2-(Z)-Methoxyiminoacetic Acid S-Benzothiazolyl Thioester
  作者:Li,Ai-Jun; Et Al
  参考文献:Jingxi Huagong 日期:2005 卷标:22(10) 页码:792-794]
  
  73708-95-9 = 80756-85-0
  反应条件:1.1 Solvents: Water; Rt -> 30 °C; 1.5 H,25 - 30 °C; 1 H,25 - 30 °C2.1 Reagents: Bromine Solvents: Dichloromethane; Rt -> 40 °C; 1 H,40 °C; 2 H,40 °C; 40 °C -> Rt3.1 Reagents: N,N-Dimethylaniline Solvents: Dichloromethane; 1 H,Rt; 2 H,30 - 35 °C; Cooled3.2 Reagents: Water; Cooled4.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Rt; 3.5 H,35 °C; 0.5 H,35 °C; 35 °C -> 5 °C4.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2.8 - 3.0,0 - 5 °C; 0.5 H,0 - 5 °C5.1 Reagents: Triethylamine,Triethyl Phosphite Solvents: Acetonitrile; 3 H,Rt
  标题:An Improved Procedure For The Preparation Of 2-(2-Aminothiazol-4-Y1)-2-(Z)-Methoxyiminoacetic Acid S-Benzothiazolyl Thioester
  作者:Li,Ai-Jun; Et Al
  参考文献:Jingxi Huagong 日期:2005 卷标:22(10) 页码:792-794

海关参考信息

• 2902200000-苯
  2905110000-甲醇
  2912110000-甲醛
  2912120000-乙醛
• 💡 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

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管