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HRID71667

反应详情

EQUATION

反应方程式

HRID 71667 的结构方程式

REACTANTS

反应物

6
结构：Cl
HCID313

Hydrochloric Acid

ClH

结构：CN(C)C=O
HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CCN(C(C)C)C(C)C
HCID81531

Diisopropylethylamine

C8H19N

结构：N[C@@H](CC(=O)O)Cc1ccccc1F
HCID5706684

(3R)-3-Amino-4-(2-fluorophenyl)butanoic acid

C10H12FNO2

结构：CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F
HCID9886157

Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

C10H15F6N6OP

结构：CCCc1cc(C(=O)O)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1
HCID178439324

未命名化合物

PRODUCTS

生成物

1
结构：CCCc1cc(C(=O)N[C@@H](CC(=O)O)Cc2ccccc2F)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)nc1
HCID178439314

未命名化合物

收率 100%

PROCEDURE

实验过程

A solution of 5-propyl-1-{6-[2-(1H-tetrazol-5-yl)phenyl]pyridin-3-ylmethyl}-1H-pyrazole-3-carboxylic acid (40 mg, 103 μmol), HATU (39.0 mg, 0.103 mmol) and DIPEA (89.4 uL, 514 μmol) in DMF (3.2 mL, 41.1 mmol) was stirred to pre-activate the acid. After 30 minutes, (R)-3-amino-4-(2-fluorophenyl)butanoic acid.HCl (24.0 mg, 103 μmol) was added. The resulting solution was stirred overnight. The mixture was concentrated, re-dissolved in water/MeCN/TFA and purified using reverse phase liquid chromatography to yield the title compound (15.7 mg; 100% purity) as a TFA salt. MS m/z: [M+H]+ calcd for C30H29FN8O3, 569.23. found 569.2.

WORKUP

后处理

  1. concentrationThe mixture was concentrated
  2. dissolutionre-dissolved in water/MeCN/TFA
  3. custompurified