HRID1453165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)c1cc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)ccc1O

HCID10316363

未命名化合物

HCID23635226

5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

C8H8N4O

PRODUCTS

生成物

结构：Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(O)c(C(C)(C)C)c4)(C4CCCC4)OC3=O)nc2n1

HCID58762294

未命名化合物

PROCEDURE

实验过程

The title compound was prepared by coupling 6-[2-(3-tert-Butyl-4-hydroxy-phenyl)-ethyl]-6-cyclopentyl-dihydro-pyran-2,4-dione from Example A(2), to 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde (described in Step 3 of example B(75)) using the Me2NHBH3 method described in the synthesis of Example B(31) 1H NMR (CDCl3): δ 1.37 (s, 9H), 1.43-1.86 (br m, 8H), 1.93-2.05 (m, 2H), 2.37 (m, 1H), 2.53-2.79 (m, 10), 3.49 (s, 2H), 4.06 (d, J=15.4 Hz, 1H), 4.11 (d, J=15.4 Hz, 1H), 6.58 (d, J=8.1 Hz 1H)), 6.81-6.84 (m, 2H), 7.00 (s, 1H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2fa0cd899e24ba3a4b2ae9b63108e45
来源数据集: uspto-grants-2009_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07473790B2
来源说明: uspto-grants-2009_01

反应 SMILES

[C:1]([C:5]1[CH:6]=[C:7]([CH2:12][CH2:13][C:14]2([CH:22]3[CH2:26][CH2:25][CH2:24][CH2:23]3)[O:19][C:18](=[O:20])[CH2:17][C:16](=[O:21])[CH2:15]2)[CH:8]=[CH:9][C:10]=1[OH:11])([CH3:4])([CH3:3])[CH3:2].[CH3:27][C:28]1[CH:33]=[C:32]([CH3:34])[N:31]2[N:35]=[C:36]([CH:38]=O)[N:37]=[C:30]2[N:29]=1>>[C:1]([C:5]1[CH:6]=[C:7]([CH2:12][CH2:13][C:14]2([CH:22]3[CH2:26][CH2:25][CH2:24][CH2:23]3)[O:19][C:18](=[O:20])[C:17]([CH2:38][C:36]3[N:37]=[C:30]4[N:29]=[C:28]([CH3:27])[CH:33]=[C:32]([CH3:34])[N:31]4[N:35]=3)=[C:16]([OH:21])[CH2:15]2)[CH:8]=[CH:9][C:10]=1[OH:11])([CH3:4])([CH3:2])[CH3:3]