化学科研者一站式服务平台
化合物简介
Pivalimidamide Hydrochloride is used as a reagent in the preparation of 2-alkyl-4-aryltetrahydropyridopyrimidines and 2-alkyl-4-aryl-tetrahydropyrimidoazepines as selective 5-HT2A antagonists.
基本信息
CAS:18202-73-8
中文别名:叔丁基胍盐酸盐;2,2,2-甲基乙脒盐酸盐;
英文别名:2,2-DIMETHYL-4-METHOXYCARBONYL-2H-IMIDAZOLE-1-OXIDE;2,2-Dimethylpropionamidine Hydrochloride;2,2-Dimethylpropanimidamide hydrochloride;TERT-BUTYLCARBAMIDINE HYDROCHLORIDE;Pivalamidine Hydrochloride;2,2-Dimethyl-propionamidine hydrochloride;2,2-dimethylpropaneimidamide hydrochloride;2,2-Dimethylpropanamidine hydrochloride;t-butyl-carbamidine-hydrochloride;Pivalamidine hydrochloride;Pivalimidamide hydrochloride;2,2,2-trimethylacetamidine hydrochloride;2,2-dimethylpropanimidamide Hydrochloride;2,2-Dimethylpropionamidine HCl;
分子式:C5H13ClN2
分子量:136.623
精确质量:136.077
Psa:49.87
Logp:2.5705
中文别名:叔丁基胍盐酸盐;2,2,2-甲基乙脒盐酸盐;
英文别名:2,2-DIMETHYL-4-METHOXYCARBONYL-2H-IMIDAZOLE-1-OXIDE;2,2-Dimethylpropionamidine Hydrochloride;2,2-Dimethylpropanimidamide hydrochloride;TERT-BUTYLCARBAMIDINE HYDROCHLORIDE;Pivalamidine Hydrochloride;2,2-Dimethyl-propionamidine hydrochloride;2,2-dimethylpropaneimidamide hydrochloride;2,2-Dimethylpropanamidine hydrochloride;t-butyl-carbamidine-hydrochloride;Pivalamidine hydrochloride;Pivalimidamide hydrochloride;2,2,2-trimethylacetamidine hydrochloride;2,2-dimethylpropanimidamide Hydrochloride;2,2-Dimethylpropionamidine HCl;
分子式:C5H13ClN2
分子量:136.623
精确质量:136.077
Psa:49.87
Logp:2.5705
编号系统
EINECS号:242-091-1
BRN号:3618865
MDL号:MFCD00051988
BRN号:3618865
MDL号:MFCD00051988
物化性质
外观与性状:白色
密度:0.92 g/cm3
沸点:126.9ºC at 760 mmHg
熔点:190 °C
闪点:30.6ºC
蒸汽压:11.4mmHg at 25°C
密度:0.92 g/cm3
沸点:126.9ºC at 760 mmHg
熔点:190 °C
闪点:30.6ºC
蒸汽压:11.4mmHg at 25°C
安全信息
安全说明:S26-S36
危险类别码:R36/37/38
海关编码:2925290090
危险品标志:Xi
危险类别码:R36/37/38
海关编码:2925290090
危险品标志:Xi
生产方法及用途
用途
叔丁基胍盐酸盐(A)与醛类似物反应(B)和N-氰基硫脲(D)反应生成吡啶衍生物(C),1a) 和三嗪衍生物(E)
叔丁基胍盐酸盐(A)与醛类似物反应(B)和N-氰基硫脲(D)反应生成吡啶衍生物(C),1a) 和三嗪衍生物(E)
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
