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化合物简介
1,4-Benzodioxane-6-carboxaldehyde was screened as a fragment for inhibitors of PDEA using enthalpy arrays and X-ray crystallography. 1,4-Benzodioxane-6-carboxaldehyde have also been used as an intermediate in the synthesis of a new class of Dopamine D3 and D4 receptor antagonists.
基本信息
CAS:29668-44-8
中文别名:1,4-苯并二噁烷-6-甲醛;3,4-亚乙二氧基苯甲醛;6-甲酰-1,4-苯并二恶烷;1,4-苯并二烷-6-甲醛;
英文别名:2H,3H-benzo[e]1,4-dioxin-6-carbaldehyde;1,4-benzodioxan-6-carboxaldehyde;1,4-Benzodioxan-6-carbaldehyde;2,3-dihydro-benzo[1,4]dioxine-6-carbaldehyde;2,3-dihydro-1,4-benzodioxin-6-carboxaldehyde;1,4-Benzodioxane-6-carboxaldehyde;1,4-Benzodioxin-6-carboxaldehyde,2,3-dihydro;2,3-Dihydro-1,4-benzodioxine-6-carbaldehyde;2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde;2,3-Dihydrobenzo[b][1,4]dioxine-6-carbaldehyde;3,4-Ethylenedioxybenzaldehyde;6-Formyl-1,4-benzodioxane;3,4-ethylene dioxybenzaldehyde;2,3-dihydro-benzo[1,4]dioxin-6-carboxaldehyde;1,4-BENZODIOXAN-6-CARBALDEHYDE;1,4-Benzodioxan-6-carboxaldehyde;
分子式:C9H8O3
分子量:164.158
精确质量:164.047
Psa:35.53
Logp:1.2703
中文别名:1,4-苯并二噁烷-6-甲醛;3,4-亚乙二氧基苯甲醛;6-甲酰-1,4-苯并二恶烷;1,4-苯并二烷-6-甲醛;
英文别名:2H,3H-benzo[e]1,4-dioxin-6-carbaldehyde;1,4-benzodioxan-6-carboxaldehyde;1,4-Benzodioxan-6-carbaldehyde;2,3-dihydro-benzo[1,4]dioxine-6-carbaldehyde;2,3-dihydro-1,4-benzodioxin-6-carboxaldehyde;1,4-Benzodioxane-6-carboxaldehyde;1,4-Benzodioxin-6-carboxaldehyde,2,3-dihydro;2,3-Dihydro-1,4-benzodioxine-6-carbaldehyde;2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde;2,3-Dihydrobenzo[b][1,4]dioxine-6-carbaldehyde;3,4-Ethylenedioxybenzaldehyde;6-Formyl-1,4-benzodioxane;3,4-ethylene dioxybenzaldehyde;2,3-dihydro-benzo[1,4]dioxin-6-carboxaldehyde;1,4-BENZODIOXAN-6-CARBALDEHYDE;1,4-Benzodioxan-6-carboxaldehyde;
分子式:C9H8O3
分子量:164.158
精确质量:164.047
Psa:35.53
Logp:1.2703
编号系统
MDL号:MFCD00010092
物化性质
外观与性状:淡黄色-米色粉末和块
密度:1.262 g/cm3
沸点:105°C15mm Hg(lit.)
熔点:50-52°C(lit.)
闪点:>230°F
折射率:1.588
蒸汽压:0.000238mmHg at 25°C
密度:1.262 g/cm3
沸点:105°C15mm Hg(lit.)
熔点:50-52°C(lit.)
闪点:>230°F
折射率:1.588
蒸汽压:0.000238mmHg at 25°C
安全信息
安全说明:S24/25
WGK Germany:3
海关编码:2932999099
危险品标志:Xi
WGK Germany:3
海关编码:2932999099
危险品标志:Xi
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

Mass

IR : KBr disc

IR : nujol mull
