939968-08-8 (2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE,2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline)

CAS号:
939968-08-8
中文名称:
2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
英文名称:
2,6-difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
分子式:
C12H16BF2NO2
分子量:
255.06875038147

2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE(939968-08-8)名称与标识符

名称

中文别名:
4-氨基-3,5-二氟苯硼酸频哪醇酯;
英文别名:
2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE;2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine (ACI);2,6-Difluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;JGOZEXIYNJERIP-UHFFFAOYSA-N;SCHEMBL59540;SY029069;DB-392137;4-Amino-2,6-difluorophenylboronic acid pinacol ester;AKOS027255880;W11438;2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-aniline;AS-54949;MB20669;CS-0038465;2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine;(4-Amino-3,5-difluorophenyl)boronic acid pinacol ester;1-Amino-2,6-difluorobenzene-4-boronic Acid Pinacol Ester;939968-08-8;4-AMINO-3,5-DIFLUOROPHENYLBORONIC ACID PINACOL ESTER;4-Amino-2,6-difluorophenylbronic acid, pinacol ester;MFCD16996398;

标识符

MDL:
MFCD16996398
InChIKey:
JGOZEXIYNJERIP-UHFFFAOYSA-N
Inchi:
1S/C12H16BF2NO2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,16H2,1-4H3
SMILES:
FC1C(N)=C(F)C=C(B2OC(C)(C)C(C)(C)O2)C=1

2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE(939968-08-8)物化性质

计算特性

  • 精确分子量 : 255.1242152g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 255.1242152g/mol
  • 重原子数量 : 18
  • 复杂度 : 299
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 拓扑分子极性表面积 : 44.5Ų

2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE(939968-08-8)推荐厂家 更多厂家(10)

2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE(939968-08-8)合成路线

合成路线:1 步
反应条件:
参考文献:
Pyrido-pyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE-I alpha) for the treatment of cancer diseases and their preparation
, World Intellectual Property Organization, , ,
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反应条件:
参考文献:
Cdk4/6 inhibitor, preparation method and application thereof
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Optimization of an Imidazopyridazine Series of Inhibitors of Plasmodium falciparum Calcium-Dependent Protein Kinase 1 (PfCDPK1)
Chapman, Timothy M.; Osborne, Simon A.; Wallace, Claire; Birchall, Kristian; Bouloc, Nathalie; et al, Journal of Medicinal Chemistry, 2014, 57(8), 3570-3587
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反应条件:
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Preparation of imidazopyridazine derivatives for use as CDPK1 inhibitors
, World Intellectual Property Organization, , ,
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Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto
, World Intellectual Property Organization, , ,
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Preparation of pyrimidine compounds, compositions, and medicinal applications thereof
, World Intellectual Property Organization, , ,
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Preparation of 4-oxoquinolizines as antimicrobials
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参考文献:
Preparation of substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis
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反应条件:
参考文献:
Preparation of deuterated biphenylcarbamoylcyclopentene carboxylic acid derivatives and analogs for use as DHODH inhibitors
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Deazapurines, thienopyrimidines and furopyrimidines as phosphoinositide 3-kinase inhibitors with a zinc binding moiety and their preparation and use in the treatment of diseases
, United States, , ,
合成路线:1 步
反应条件:
参考文献:
Treatment of cancers having k-ras mutations using PI3 kinase and HDAC inhibitors and preparation of bifunctional thienopyrimidine compounds that inhibit both enzymes
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
Carboxamide derivatives as DHODH inhibitors and their preparation
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
Compound having AXL inhibitory activity, preparation method and use
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