CAS: 477254-69-6; (S)-3-Methyl-1-((3As,4S,6S,7Ar)-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[d][1,3,2]Dioxaborol-2-yl)Butan-1-Amine 2,2,2-Trifluoroacetate

英文名称(S)-3-Methyl-1-((3As,4S,6S,7Ar)-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[d][1,3,2]Dioxaborol-2-yl)Butan-1-Amine 2,2,2-Trifluoroacetate
中文名称(S)-1-氨基-3-甲基丁基硼酸蒎烷二醇酯三氟醋酸盐
IUPAC名称(S)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butan-1-amine 2,2,2-trifluoroacetate
其它别名(1S)-(S)-蒎烷二醇-1-氨基-3-甲基丁烷-1-硼酸酯三氟乙酸盐; Bortezomib Impurity 37 Trifluoroacetate
CAS编号477254-69-6
MFCD编号:MFCD29920115
FDA UNII编号:B8J25KZ4ZV
分子式:C17H29BF3NO4分子量:379.23
产品CID: 1470108
产品分类有机原料→分子砌块→桥环类化合物→其它桥环类化合物

相似结构搜索
InChIKey: SRFQKJZNJYTMNI-AJQRTZQTSA-N
InChI=1S/C15H28BNO2.C2HF3O2/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;3-2(4,5)1(6)7/h9-13H,6-8,17H2,1-5H3;(H,6,7)/t10-,11-,12+,13+,15-;/m0./s1
计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数3.0

相似化合物

179324-87-9 179324-87-9 1610526-93-6

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

上下游产品

(1S)-(S)-pinanediol 1-bis(trimethylsilyl)amino-3-methylbutane-1-boronate trifluoroacetic acid 1,1,1-trimethyl-N-{(1R)-3-methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}-N-(trimethylsilyl)silanamine (1S,2S,3R,5S)-pinanediol N-B°C-L-phenylalanine-L-leucine boronate

合成工艺路线路线简述

📜(1S)-(S)-Pinanediol 1-Bis(Trimethylsilyl)Amino-3-Methylbutane-1-Boronate,三氟乙酸,N,N-Bis(Trimethylsilyl)-(1R)-1-[(3As,4S,6S,7Ar)-Hexahydro-3A,5,5-Trimethyl-4,6-Methano-1,3,2-Benzodioxaborol-2-Yl]-3-Methylbutylamine 以异丙醚,甲基环己烷作为反应溶剂,化学反应 9.0H,以72%的收率获得产物(Ar,3As,4S,6S,7Ar)-六氢-3A,8,8-三甲基-Alpha-(2-甲基丙基)-4,6-甲桥-1,3,2-苯并二氧硼烷-2-甲胺 2,2,2-三氟乙酸盐
参考文献: Synthesis Of Boronic Ester And Acid Compounds[fr] Synthese D'Ester Borique Et De Composes Acides
标题: Synthesis Of Boronic Ester And Acid Compounds[fr] Synthese D'Ester Borique Et De Composes Acides