2-氨基-5-(甲氧基羰基)苯硼酸频哪醇酯

Methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

HCID 178789331CAS 524916-42-5

子结构检索查找相似结构

基本信息

标准SMILES: COC(=O)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1
InChIKey: MJOQXIXZHYEHQH-UHFFFAOYSA-N
分子式: C14H20BNO4
平均分子量: 277.13 g/mol

名称与标识

首选名称: Methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC: methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
中文名: 2-氨基-5-(甲氧基羰基)苯硼酸频哪醇酯
英文名: 4-AMino-3-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid Methyl ester
分子式: C14H20BNO4
分子量: 277.12

名称与别名

524916-42-5methyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateMFCD224938564-Amino-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester2-Amino-5-(methoxycarbonyl)phenylboronic acid pinacol esterMethyl 4-amino-benzoaSCHEMBL5442364MJOQXIXZHYEHQH-UHFFFAOYSA-NBS-28756SY310844DB-184679CS-0174001

展开更多名称

2-氨基-5-(甲氧基羰基)苯硼酸频哪醇酯4-氨基-3-(4,4,5,5-四甲基-1,3,2-二氧硼烷-2-基)苯甲酸甲酯4-氨基-3-(4,4,5,5-四甲基-1,3,2-二氧杂硼戊环-2-基)苯甲酸甲酯4-氨基-3-(4,4,5,5-四甲基-1,3,2-二氧硼杂环戊烷-2-基)苯甲酸甲酯4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxyboronalkane-2-yl)methyl benzoatemethyl 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate - [M86889]Benzoic acid, 4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,methyl ester

P20788F694002Methyl 4-amino-benzoate-3-boronic acid pinacol estermethyl4-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate4-Amino-3-(4,4,5,5-tetramethyl-(1,3.2)dioxaborolan-2-yl)-benzoic acid methyl ester

数据库标识

CAS: 524916-42-5
Nikkaji: J2.368.491H

性质

结构计算性质

极性表面积: 70.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 369

物理化学性质

熔点: 189 · 189-191 °C
沸点: 432 · 432.0±35.0 °C(Predicted)
密度: 1.13 · 1.13±0.1 g/cm3(Predicted)
酸度系数(pKa): 1.76 · 1.76±0.10(Predicted)
InChI: InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-8-9(12(17)18-5)6-7-11(10)16/h6-8H,16H2,1-5H3
InChIKey: MJOQXIXZHYEHQH-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(N)C(B2OC(C)(C)C(C)(C)O2)=C1

化学与工业

供应商35 家

宁波振岳医药科技有限公司19817745290 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Aladdin Scientific[email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

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