CAS: 168683-02-1; (1S,4R)-Methyl 4-((Tert-Butoxycarbonyl)Amino)Cyclopent-2-Enecarboxylate

• 英文名称(1S,4R)-Methyl 4-((Tert-Butoxycarbonyl)Amino)Cyclopent-2-Enecarboxylate
• 中文名称4-[[(1,1-二甲基乙氧基)羰基]氨基]-2-环戊烯-1-羧酸甲酯
• IUPAC名称methyl (1S,4R)-4-((tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylate
• 其它别名4-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-2-Cyclopentene-1-Carboxylic Acid Methyl Ester; (1S,4R)-Methyl 4-((Tert-Butoxycarbonyl)Amino)Cyclopent-2-Enecarboxylate; Methyl 4-((Tert-Butoxycarbonyl)Amino)Cyclopent-2-Enecarboxylate; Peramivir Intermediate; Cis-(1S,4R)-4-Boc-Amino-2-Cyclopentene-1-Carboxylic Acid Methyl Ester; Methyl(1S,4R)-4-((Tert-Butoxycarbonyl)Amino)Cyclopent-2-Ene-1-Carboxylate; (1S,4R)-Methyl 4-(Tert-Butoxycarbonyl)Cyclopent-2-Enecarboxylate; 2-Cyclopentene-1-Carboxylic Acid, 4-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-, Methyl Ester, (1S,4R)-
• CAS编号168683-02-1
• MFCD编号:MFCD02259716
• EINECS号:897-931-5
• 分子式:C12H19NO4
• 分子量:241.28
• 产品CID: 851986
• 产品分类Chemistry → Organic Building Blocks → Amines | Chemistry → Asymmetric Synthesis → Chiral Building Blocks | Esters | Amides | Aliphatic Cyclic Hydrocarbons | Pharmaceutical Intermediates → Antivirals → Peramivir related | Alkenyls

• 相似结构搜索
• InChIKey: HKLDTKMTZPXEAZ-BDAKNGLRSA-N
• InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5-6,8-9H,7H2,1-4H3,(H,13,15)/t8-,9+/m1/s1…
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点331.2±42.0 °C at 760 mmHg
• 闪点154.1±27.9 °C
• 密度1.1±0.1 g/cm3
• pKa:11.75±0.40(预测)
• PSA:64.63
• LogP:1.58
• 折射率1.489
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Chloroform (Sparingly), Methanol (Slightly)
• 外观形态类白色至浅米色固体
• 储存条件2-8°C
• 产品应用该化合物是合成全氟辛烷磺酸的中间体.

MSDS等安全信息

• GHS符号GHS07
• 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2A
• 警示词Warning
• 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.
• 防范说明P261-P280-P305+P351+P338

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 4-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-2-Cyclopentene-1-Carboxylic Acid Methyl Ester 主要起始原料 Di-Tert-Butyl Dicarbonate And (1S,4R)-Methyl 4-Aminocyclopent-2-Enecarboxylate Hydrochloride
• (文献来源)合成步骤主要原料 Di-Tert-Butyl Dicarbonate 和 (1S,4R)-Methyl 4-Aminocyclopent-2-Enecarboxylate Hydrochloride

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 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

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