CAS: 62904-71-6; (R)-1-(1,3-Dioxan-5-yl)-N,N-Dimethyl-1-(Pyridin-3-yl)Methanamine

英文名称(R)-1-(1,3-Dioxan-5-yl)-N,N-Dimethyl-1-(Pyridin-3-yl)Methanamine
中文名称多匹可明
IUPAC名称(R)-1-(1,3-dioxan-5-yl)-N,N-dimethyl-1-(pyridin-3-yl)methanamine
其它别名Doxpicomine; (-)-3-[(R)-(Dimethylamino)(M-Dioxane-5-yl)Methyl]Pyridine; 3-Pyridinemethanamine, α-1,3-Dioxan-5-Yl-N,N-Dimethyl-, (αr)-; Doxpicomine Usp/ep/bp
CAS编号62904-71-6
MFCD编号:MFCD00864254
FDA UNII编号:9821373UA1
分子式:C12H18N2O2分子量:222.29
产品CID: 1609804
同类组份化合物CAS62904-71-6 (free base)69494-04-8 (HCl)
产品分类原料药 → 解热镇痛药 → 镇痛药

相似结构搜索
产品信息参考;;;;
InChIKey: SMZVRZPJXBGNFT-LBPRGKRZSA-N
InChI=1S/C12H18N2O2/c1-14(2)12(10-4-3-5-13-6-10)11-7-15-9-16-8-11/h3-6,11-12H,7-9H2,1-2H3/t12-/m0/s1
计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数3.0

物理性质

沸点319.1±27.0 °C at 760 mmHg
闪点146.8±23.7 °C
密度1.1±0.1 g/cm3
pKa:7.31±0.50(预测)
PSA:34.59
LogP:-0.15
折射率1.528
蒸汽压0.0±0.7 mmHg at 25°C
储存条件Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
产品应用该化合物是L-3[(二甲基氨--甲基二氧安--5-基)甲基]甲状腺素盐盐,一种1,3二氧烷替代物的衍生物.

MSDS等安全信息

上下游产品

formaldehyd (R)-α-(1,3-dioxan-5-yl)-3-pyridinemethanamine dihydr°Chloride (R,S)-α-(1,3-dioxan-5-yl)-N-(1-phenylethyl)-3-pyridinemethanamine 1,3-dioxan-5-yl pyridin-3-yl ketone

合成工艺路线路线简述

📜(S)-(-)-N-<(1,3-Dioxan-5-yl)(3-Pyridyl)Methylene>-α-Methylbenzylamine置于sodium Tetrahydroborate,甲酸体系中,用甲醇作为反应溶剂,化学反应 30.5H,反应生成多匹可明
参考文献:Chiral Synthesis Of Doxpicomine
标题:Chiral Synthesis Of Doxpicomine
摘要:
DOI:10.1021/jo00207A037