1-p-tolyl-1,4,5,6-tetrahydropyrimidine | 187149-90-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-p-tolyl-1,4,5,6-tetrahydropyrimidine
• 英文别名: 1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine
• CAS: 187149-90-2
• 化学式: C₁₁H₁₄N₂
• 分子量: 174.246
• InChiKey: IWSXYMBUQMHRIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 1-p-tolyl-1,4,5,6-tetrahydropyrimidine 以 甲苯 为溶剂， 以89%的产率得到RuCl2(η(6)-p-cymene)(1-p-tolyl-1,4,5,6-tetrahydropyrimidine)
  参考文献：
  名称：

  2-Imidazoline– and 1,4,5,6-tetrahydropyrimidine–ruthenium(II) complexes and catalytic synthesis of furan

  摘要：

  The complexes RuCl2(L-1)(arene) (3-4) (L1 = HC=NCH2CH2NR, R = Et, arene = p-MeC6H4CHMe2 or C6Me6) and RuCl2(L-2)(arene) (5-6) (L-2 = HC=NCH2CH2CH2NR, R = Me; Ph, CH2Ph, p-MeC6H4) have been synthesized by reaction of [RuCl2(arene)](2), with 1-alkyl-2-imidazoline (1) or 1-alkyl-1,4,5,6-tetrahydropyrimidine (2). In each of these complexes (3-6) the ligand is bound via the imine (N=C) nitrogen atom. The new complexes are capable of catalyzing the activation of (2)-3-methylpent-2-en-4-yn-1-ol into 2,3-dimethylfuran in very good yield, via intramolecular cyclization, and the 1,4,5,6-tetrahydropyrimidine complexes 5 and 6 appeared to be the best catalyst precursors. Cyclic voltammetry shows that the nature of the arene ligand, rather than that of the nitrogen containing ligand, controls the electron-richness of the complexes. (C) 1999 Elsevier Science Ss.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00992-9
• 作为产物：
  描述：

  N-(3-aminopropyl)-p-toluidine 以 neat (no solvent) 为溶剂， 反应 1.0h， 生成 1-p-tolyl-1,4,5,6-tetrahydropyrimidine
  参考文献：
  名称：

  A Synthesis and Properties of 1-Substituted 1,4,5,6-Tetrahydro-pyrimidines

  摘要：

  DOI：

  10.3987/com-96-7511

文献信息

• US7250415B2
  申请人：——

  公开号：US7250415B2

  公开（公告）日：2007-07-31
• [EN] SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS<br/>[FR] COMPOSES CONTENANT UN GROUPE SULFONYL-AMIDINO ET UN GROUPE TETRAHYDROPYRIMIDINO UTILISES COMME INHIBITEURS DE FACTEUR XA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004083174A2

  公开（公告）日：2004-09-30

  The present application describes sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds and derivatives thereof of Formula (I): P4-P-M-M4 or pharmaceutically acceptable salt forms thereof, wherein M is a ring, P is an optional ring, and P4 and M4 are as defined below. Compounds of the present invention are useful as inhibitors of trypsin-like serine proteases, specifically factor Xa.
• [EN] 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, beta-AMINOACIDS, alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS<br/>[FR] DOLLAR G(A)-AMINOACIDES, DOLLAR G(B)-AMINOACIDES, DIAMINOALKYLE CONTENANT 1,1-DISUBSTITUE CYCLOALKYLE, GLYCINAMIDYLE, SULFONYL-AMIDINO-, ET TETRAHYDROPYRIMIDINYLE ET LEURS DERIVES UTILISES COMME INHIBITEURS DU FACTEUR XA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004108892A2

  公开（公告）日：2004-12-16

  The present application describes 1,1-disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives therof of Formula(I) or pharmaceutically acceptable salt forms thereof, wherein M is a linear core. Compounds of the present invention are useful as inhibitors of trypsin-like serine proteases, specifically factor Xa.
• A Synthesis and Properties of 1-Substituted 1,4,5,6-Tetrahydro-pyrimidines
  作者：Engin Çetinkaya、Bülent Alici、Bekir Çetinkaya

  DOI：10.3987/com-96-7511

  日期：——
• 2-Imidazoline– and 1,4,5,6-tetrahydropyrimidine–ruthenium(II) complexes and catalytic synthesis of furan
  作者：Bekir Çetinkaya、Bülent Alici、Ismail Özdemir、Christian Bruneau、Pierre H. Dixneuf

  DOI：10.1016/s0022-328x(98)00992-9

  日期：1999.3

  The complexes RuCl2(L-1)(arene) (3-4) (L1 = HC=NCH2CH2NR, R = Et, arene = p-MeC6H4CHMe2 or C6Me6) and RuCl2(L-2)(arene) (5-6) (L-2 = HC=NCH2CH2CH2NR, R = Me; Ph, CH2Ph, p-MeC6H4) have been synthesized by reaction of [RuCl2(arene)](2), with 1-alkyl-2-imidazoline (1) or 1-alkyl-1,4,5,6-tetrahydropyrimidine (2). In each of these complexes (3-6) the ligand is bound via the imine (N=C) nitrogen atom. The new complexes are capable of catalyzing the activation of (2)-3-methylpent-2-en-4-yn-1-ol into 2,3-dimethylfuran in very good yield, via intramolecular cyclization, and the 1,4,5,6-tetrahydropyrimidine complexes 5 and 6 appeared to be the best catalyst precursors. Cyclic voltammetry shows that the nature of the arene ligand, rather than that of the nitrogen containing ligand, controls the electron-richness of the complexes. (C) 1999 Elsevier Science Ss.A. All rights reserved.