1-(Cyclopropylmethyl)piperazine → HCID 57955515, compound

Participants

Role	Name	HCID	Charge
Reactant	1-(Cyclopropylmethyl)piperazine	HCID 965875	—
Reactant	Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)	HCID 9886157	—
Reactant	4-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid	HCID 25252905	—
Product	HCID 57955515	HCID 57955515	—

Reaction Steps

The title compound was synthesized from 4-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid as described in the general procedure for amide bond synthesis using HATU and 1-(cyclopropylmethyl)piperazine. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.07 (br. s., 2 H) 0.47 (br. s., 2 H) 1.55 (br. s., 5 H) 1.68 (br. s., 2 H) 1.90 (br. s., 2 H) 2.21 (br. s., 1 H) 2.40-2.48 (m, 3 H) 3.31 (s, 4 H) 3.32 (br. s., 3 H) 3.88 (s, 3 H) 4.03 (t, J=13.89 Hz, 2 H) 4.64-4.76 (m, 1 H) 6.96 (d, J=8.84 Hz, 1 H) 7.04 (s, 1 H) 8.00 (s, 1 H) 8.15 (d, J=7.83 Hz, 1 H) 8.23 (s, 1 H). [M+H] calculated for C29H37F2N7O3, 570; found 570.

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US08318727B2
Source dataset	uspto-grants-2012_11
ORD ID	ord-760d6f24b6d64526925a544e1e0cf233
Source note	uspto-grants-2012_11