CAS 3680-69-1

4-chloro-7H-pyrrolo[2,3-d]pyrimidine

Codes: TOFA-003, RUXO-001

Application context (from source-drug indications)

Ankylosing spondylitisTofacitinib CitrateJuvenile rheumatoid arthritisTofacitinib CitrateUlcerative colitisTofacitinib CitratePsoriatic arthritisTofacitinib CitrateRheumatoid arthritisTofacitinib CitrateAtopic dermatitisRuxolitinib PhosphateVitiligoRuxolitinib PhosphateGraft-versus-host diseaseRuxolitinib PhosphateMyelofibrosisRuxolitinib PhosphatePolycythaemia veraRuxolitinib Phosphate

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Tofacitinib Citrate	Tier B — Position early	2028
Ruxolitinib Phosphate	Tier A — Act now	2028

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

Tofacitinib CitrateOriginator routesteps: 4total yield: /

1-benzyl-4-methylpiperidin-3-one→1-benzyl-N,4-dimethylpiperidin-3-amine→4-chloro-7H-pyrrolo[2,3-d]pyrimidine→N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine→N-methyl-N-(4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine→2-cyanoacetyl chloride

Tofacitinib CitrateProcess routesteps: 5total yield: 2.08 kg

1-benzyl-N,4-dimethylpiperidin-3-amine→4-chloro-7H-pyrrolo[2,3-d]pyrimidine→N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine→N-methyl-N-(4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine→4-chloro-7-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine→N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine→ethyl 2-cyanoacetate

Tofacitinib CitrateOptimised routesteps: 5total yield: 1.1 g

1-benzyl-N,4-dimethylpiperidin-3-amine→4-chloro-7H-pyrrolo[2,3-d]pyrimidine→N-(1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine→N-methyl-N-(4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine→(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine hemi((2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinate)→1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride→2,5-dioxopyrrolidin-1-yl 2-cyanoacetate

Tofacitinib CitrateOptimised routesteps: 4total yield: 63.4 g

4-chloro-7H-pyrrolo[2,3-d]pyrimidine→2-cyanoacetic acid→tert-butyl methyl((3R,4R)-4-methylpiperidin-3-yl)carbamate→tert-butyl ((3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl)(methyl)carbamate→3-((3R,4R)-4-methyl-3-(methylamino)piperidin-1-yl)-3-oxopropanenitrile

Ruxolitinib PhosphateOriginator routesteps: 5total yield: 171.7 mg

4-chloro-7H-pyrrolo[2,3-d]pyrimidine→4-chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine→4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole→4-(1H-pyrazol-4-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine→3-cyclopentylacrylonitrile→(R)-3-cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile

Ruxolitinib PhosphateOptimised routesteps: 9total yield: 634.2 g

Ruxolitinib PhosphateOptimised routesteps: 4total yield: 204.3 mg

4-chloro-7H-pyrrolo[2,3-d]pyrimidine→(E)-3-cyclopentylacrylaldehyde→4-bromo-1H-pyrazole→(R)-3-(4-bromo-1H-pyrazol-1-yl)-3-cyclopentylpropanal→(R)-3-(4-bromo-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile→4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane)→(R)-3-cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile

Intermediates available on this site

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Supplier	Product	Price band	MOQ	Lead time	Qualifications	Action
Unibest Nantong cGMP Site	4-Chloropyrrolo[2,3-d]pyrimidine Pharmaceutical Intermediates	On request	On request	On request	—

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