CAS: 39084-88-3; 2,2-Dichloro-N-(2,6-Dimethylphenyl)Acetamide

该化合物是其氨化功能组和在与氨化氮相邻碳上存在两个氯原子的有机化合物,该化合物具有二氯替代成分,这加强了其反应性和在各种化学工艺中的潜在应用;2,6-二甲基苯基组的存在有助于其疏水特性,影响其溶解性和与生物系统的互动;通常,这种性质的化合物可能会表现出生物活动,引起制药和农用化学研究的兴趣;分子结构显示合成和有机化学中作为建筑块的应用潜力;应当参考安全数据,因为卤化化合物可能对环境和健康造成危害;

英文名称2,2-Dichloro-N-(2,6-Dimethylphenyl)Acetamide
中文名称2,2-二氯-N-(2,6-二甲基苯基)乙酰胺
IUPAC名称2,2-dichloro-N-(2,6-dimethylphenyl)acetamide
其它别名Imp. A (Ep): (Rs)-2-Chloro-N-(2-Methylphenyl)-Propanamide; Propitocaine Impurity A; N-Dichloroacetyl-2,6-Xylidine; Lidocaine Dichloro Impurity; 2,2-Dichloro-N-(2,6-Dimethyl-Phenyl)-Acetamide; Lidocaine Impurity 14; Lidocaine Impurity 30
CAS编号39084-88-3
MFCD编号:MFCD00228084
EINECS号:684-281-0
FDA UNII编号:SE6Z3K4QJB
分子式:C10H11Cl2NO分子量:232.11
产品CID: 1403054
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: ZBRUDTTYIRXMSM-UHFFFAOYSA-N
InChI=1S/C10H11Cl2NO/c1-6-4-3-5-7(2)8(6)13-10(14)9(11)12/h3-5,9H,1-2H3,(H,13,14)
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

物理性质

熔点158 °C(溶剂: ethanol (64-17-5))
沸点325.3±42.0 °C(预测)
闪点150.5 °C
密度1.302±0.06 g/cm3(预测)
pKa:11.21±0.70(预测)
PSA:29.1
LogP:3.1186
折射率1.586
蒸汽压0.000233 mmHg at 25 °C
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态白色至淡黄色固体
储存条件2-8°C
产品应用该化合物用于制造抗ANGINAL剂R12250ROLAZINE(R122500).

欧盟法规

ECHA物质C&L通报

上下游产品

N-(2,6-二甲基苯基)-3-氧代丁酰胺 N-(2,6-Dimethylphenyl)Acetoacetamide 52793-02-9

合成工艺路线路线简述

📜N-(2,6-二甲基苯基)-3-氧代丁酰胺置于n-氯代丁二酰亚胺,C20H27N3O2S体系中,用甲醇用作溶剂,化学反应 2.0H,以95%的收率获得2,2-二氯-N-(2,6-二甲基苯基)乙酰胺
参考文献:Zwitterion-Catalyzed Deacylative Dihalogenation Of β-Oxo Amides
标题:Zwitterion-Catalyzed Deacylative Dihalogenation Of β-Oxo Amides
摘要:Alpha,Alpha-Dihalo-N-Arylacetamides Are Commonly Used As Intermediates In Various Organic Reactions. In The Study Described Here,A Catalytic Synthesis Of Alpha,Alpha-Dihalo-N-Arylacetamides From Beta-Oxo Amides Was Developed Using Zwitterionic Catalysts And N-Halosuccinimides As The Halogen Sources. The Corresponding Alpha,Alpha-Dihalo-N-Arylacetamides Were Obtained In Good To Excellent Yields,And No Aromatic Halogenated Side Products Were Detected. The Reaction Conditions Were Mild,And No Strong Base Or Acid Was Required.
Doi:10.1021/acs.Orglett.0C02701