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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1805831Generated: November 3, 2026

N,N-Dimethylaniline → 4-chloro-7H-pyrrolo(2,3-d)pyrimidin-2-amine

https://huagongshe.com/reaction/1805831

Reaction equation

Participants

RoleNameHCIDCharge
ReactantN,N-DimethylanilineHCID 949—
ReactantPhosphorus oxychlorideHCID 24813—
Reactant7-DeazaguanineHCID 135408714—
CatalystBenzyl triethylammonium chlorideHCID 66133—
SolventAcetonitrileHCID 6342—
Product4-chloro-7H-pyrrolo(2,3-d)pyrimidin-2-amineHCID 532441345.1%

Reaction Conditions

Temperature85 °C

Reaction Steps

To a solution of 2-amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one (5.00 g, 33.3 mmol), dimethylaniline (4.22 mL, 41.0 mmol) and benzyltriethylammonium chloride (15.2 g, 66.6 mmol) in acetonitrile (25 mL) at room temperature under argon was added POCl3 (18.6 mL, 200 mmol) dropwise for 30 min. The mixture was refluxed at 85° C. for 3 h and cooled to room temperature. The reaction was concentrated in vacuo to brown oil and to the oil was added an ice cold H2O (10 mL). The pH of the solution was adjusted to 5 by the addition of an aqueous NH4OH solution. Silica gel chromatography (CH2Cl2:MeOH=95:5) yielded 2.53 g (45%) of 4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-ylamine as a light yellow solid. The product was then benzylated at N7 using standard techniques.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08354532B2
Source datasetuspto-grants-2013_01
ORD IDord-c640c6e2807f4a2eb847cbca1f4ece68
Source noteuspto-grants-2013_01