methyl 11-methoxy-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate | 79670-00-1

分子结构分类

有机化合物 - 有机杂环化合物 - 苯并噁庚英

中文名称

——

中文别名

——

英文名称

methyl 11-methoxy-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate

英文别名

methyl (+/-)-11-methyloxy-6,11-dihydrodibenzoxepine-2-carboxylate；methyl 6,11-Dihydro-11-methoxydibenz[b,e]oxepin-2-carboxylate；methyl 11-methoxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

methyl 11-methoxy-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate化学式

CAS

79670-00-1

化学式

C₁₇H₁₆O₄

mdl

——

分子量

284.312

InChiKey

JCNZIGFUEMUHJP-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

404.6±45.0 °C(Predicted)
密度：

1.24±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.7
重原子数：

21
可旋转键数：

3
环数：

3.0
sp3杂化的碳原子比例：

0.24
拓扑面积：

44.8
氢给体数：

0
氢受体数：

4

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	Methyl 11-hydroxy-6,11-dihydrobibenzoxepin-2-carboxylate	79669-90-2	C₁₆H₁₄O₄	270.285
11-氧代-6,11-二氢-二苯并[b,e]氧杂卓-2-羧酸甲酯	methyl 11-oxo-6,11-dihydrodibenzoxepin-2-carboxylate	79669-87-7	C₁₆H₁₂O₄	268.269
——	methyl 6,11-dihydro-11-chlorodibenz[b,e]oxepin-2-carboxylate	79669-92-4	C₁₆H₁₃ClO₃	288.73

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	11-(formylmethyl)-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	142535-69-1	C₁₈H₁₆O₄	296.323
——	11-(2-hydroxyethyl)-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	142535-70-4	C₁₈H₁₈O₄	298.339
——	11-allyl-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	142535-68-0	C₁₉H₁₈O₃	294.35
——	11-phenacyl-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	147753-52-4	C₂₄H₂₀O₄	372.42
——	11-<2-(methylsulfonyl)ethyl>-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	142535-71-5	C₁₉H₂₀O₆S	376.43
——	11-<(2-hydroxyethyl)thio>-6,11-dihydrobenzoxepin-2-carboxylic acid methyl ester	140836-73-3	C₁₈H₁₈O₄S	330.405
——	11-<(2-aminoethyl)thio>-6,11-dihydrobenzoxepin-2-carboxylic acid methyl ester	105359-99-7	C₁₈H₁₉NO₃S	329.42
——	11-<<2-<<(benzyloxy)carbonyl>amino>ethyl>thio>-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	123227-34-9	C₂₆H₂₅NO₅S	463.554
——	11-<<2-(benzylthioureido)ethyl>thio>-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	123227-33-8	C₂₆H₂₆N₂O₃S₂	478.636
——	Methyl 11-[2-(benzylcarbamoylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate	142424-31-5	C₂₆H₂₆N₂O₄S	462.569
——	11-(2-Benzyloxycarbonylamino-ethylsulfanyl)-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid	123227-38-3	C₂₅H₂₃NO₅S	449.527
——	Methyl 11-[2-[(phenylsulfonyl)amino]ethyl]thio-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate	123226-64-2	C₂₄H₂₃NO₅S₂	469.582
——	11-<<2-(3-phenylureido)ethyl>thio>-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	123227-31-6	C₂₅H₂₄N₂O₄S	448.543
——	(+)-11-<<2-<(styrylsulfonyl)amino>ethyl>thio>-6,11-dihydrodibenzoxepin-2-carboxylic acid (trimethylsilyl)ethyl ester	142437-45-4	C₃₀H₃₅NO₅S₂Si	581.829
——	11-<<2-<(2-hydroxybenzoyl)amino>ethyl>thio>-6,11-dihydrobenzoxepin-2-carboxylic acid methyl ester	123227-21-4	C₂₅H₂₃NO₅S	449.527
——	<2-(methoxycarbonyl)-6,11-dihydrodibenzoxepin-11-yl>benzoylacetic acid ethyl ester	147753-50-2	C₂₇H₂₄O₆	444.484
——	methyl (+/-)-11-<2-(4-benzyl-1-piperidinyl)ethyl>thio-6,11-dihydrodibenzoxepine-2-carboxylate	140836-74-4	C₃₀H₃₃NO₃S	487.663
——	Methyl 11-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate	142424-04-2	C₂₅H₂₅NO₅S₂	483.609
——	Methyl 11-[2-[(4-methoxyphenyl)sulfonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate	142424-05-3	C₂₅H₂₅NO₆S₂	499.609
——	Methyl 11-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate	142424-03-1	C₂₄H₂₂ClNO₅S₂	504.027
——	Methyl 11-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate	142424-02-0	C₂₄H₂₂FNO₅S₂	487.573
——	11-<<2-<(2-methoxybenzoyl)amino>ethyl>thio>-6,11-dihydrobenzoxepin-2-carboxylic acid methyl ester	123227-12-3	C₂₆H₂₅NO₅S	463.554
——	Methyl 11-[2-(naphthalen-2-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate	142424-09-7	C₂₈H₂₅NO₅S₂	519.642
——	11-[2-(Benzylcarbamoylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid	142423-63-0	C₂₅H₂₄N₂O₄S	448.543
——	Methyl 11-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate	142424-11-1	C₂₃H₂₂N₂O₅S₂	470.57
——	11-[2-(3-Benzyl-thioureido)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid	123227-37-2	C₂₅H₂₄N₂O₃S₂	464.609
——	11-[2-(Thiophene-2-sulfonylamino)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid methyl ester	142424-10-0	C₂₂H₂₁NO₅S₃	475.61
——	11-[2-[[(E)-2-phenylethenyl]sulfonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid	——	C₂₅H₂₃NO₅S₂	481.593
——	(+/-)-11-<<2-<(styrylsulfonyl)amino>ethyl>thio>-6,11-dihydrodibenzoxepin-2-carboxylic acid	123226-57-3	C₂₅H₂₃NO₅S₂	481.593
——	11-[2-(4-Trifluoromethyl-benzenesulfonylamino)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid methyl ester	142424-01-9	C₂₅H₂₂F₃NO₅S₂	537.581
——	11-[2-(3-Phenyl-ureido)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid	123227-35-0	C₂₄H₂₂N₂O₄S	434.516
——	11-<<2-<(3,4,5-trimethoxybenzoyl)amino>ethyl>thio>-6,11-dihydrodibenzoxepin-2-carboxylic acid methyl ester	123227-14-5	C₂₈H₂₉NO₇S	523.607
——	11-[2-[(Phenylsulfonyl)amino]ethyl]thio-6, 11-dihydrodibenz-[b,e]oxepin-2-carboxylic acid	123226-46-0	C₂₃H₂₁NO₅S₂	455.555
——	11-[2-(2-Hydroxy-benzoylamino)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid	123227-30-5	C₂₄H₂₁NO₅S	435.5
11-({2-[(苯磺酰)氨基]乙基}氨基)-6,11-二氢二苯并[b,e]噁庚英-2-羧酸	11-((2-((Phenylsulfonyl)amino)ethyl)amino)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid	123226-93-7	C₂₃H₂₂N₂O₅S	438.5
——	11-<2-(5,6-dimethyl-1-benzimidazoyl)ethyl>-6,11-dihydrodibenzoxepinm-2-carboxylic acid methyl ester	142535-72-6	C₂₇H₂₆N₂O₃	426.515
——	11-[2-[(4-Methylphenylsulfonyl)amino]ethyl]thio-6,11-dihydrodibenz-[b,e]oxepin-2-carboxylic acid	123226-54-0	C₂₄H₂₃NO₅S₂	469.582
——	Methyl 11-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate	142424-00-8	C₂₄H₂₂N₂O₇S₂	514.58
——