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CAS 105-56-6

ethyl 2-cyanoacetate2-Cyanoacetic acid ethyl ester3-Ethoxy-3-oxopropanenitrile

Codes: TOFA-009, AVAN-034, VONO-003, Folic Acid-070, ETRA-015, Cefoselis Sulfate-012, (II)909096-1-a, PREG-017, PAZU-032

Application context (from source-drug indications)

Ankylosing spondylitisTofacitinib CitrateJuvenile rheumatoid arthritisTofacitinib CitrateUlcerative colitisTofacitinib CitratePsoriatic arthritisTofacitinib CitrateRheumatoid arthritisTofacitinib CitrateErectile dysfunctionAvanafilPeptic ulcer bleedingVonoprazan AcetateHelicobacter pylori infectionVonoprazan FumarateOesophagitisVonoprazan FumarateGastro-oesophageal reflux diseaseVonoprazan FumarateHeartburnVonoprazan FumaratePeptic oesophagitisVonoprazan FumarateHelicobacter infectionVonoprazan FumarateEssential hypertensionEnalapril Maleate/Folic AcidHIV infectionEtravirineFriedreich's ataxiaEtravirineInflammatory diseaseEtravirineInsulin resistanceEtravirineBacterial infectionCefoselis SulfateMegaloblastic anaemiaFolic AcidFolate deficiencyFolic AcidNeural tube defectFolic AcidAnaemiaFolic AcidHot flushesFolic AcidHyperhomocysteinaemiaFolic AcidNon-small cell lung cancerIruplinalkibFibromyalgiaPregabalinSeizurePregabalinPostherpetic neuralgiaPregabalin神经痛PregabalinPartial-onset seizurePregabalinDiabetic neuropathyPregabalin肺炎链球菌感染Pazufloxacin MesylateSepsisPazufloxacin MesylateInfectious diseasePazufloxacin MesylateCystitisPazufloxacin Mesylate胆管炎Pazufloxacin MesylateCholecystitisPazufloxacin Mesylate

Source drugs (routes using this intermediate)

DrugTierExpiry
Tofacitinib CitrateTier B — Position early2028
AvanafilTier C — Watch / trade2028
Vonoprazan AcetateTier C — Watch / trade2029
Vonoprazan FumarateTier C — Watch / trade-
Enalapril Maleate/Folic AcidTier C — Watch / trade-
EtravirineTier C — Watch / trade-
Dextran/Calcium Chloride/Potassium Chloride/Sodium Chloride/Sodium lactateTier C — Watch / trade-
Cefoselis SulfateTier C — Watch / trade-
Folic AcidTier C — Watch / trade-
IruplinalkibTier C — Watch / trade-
PregabalinTier B — Position early-
Pazufloxacin MesylateTier C — Watch / trade-

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 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: 7total yield: 42.85 g
(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine hemi((2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinate)→2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine→N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine→1-benzyl-N,4-dimethylpiperidin-3-amine→N-methyl-N-(4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine→ethyl 2-cyanoacetate→methyl (4-methylpyridin-3-yl)carbamate→1-benzyl-3-((methoxycarbonyl)amino)-4-methylpyridin-1-ium chloride→methyl (1-benzyl-4-methyl-1,2,5,6-tetrahydropyridin-3-yl)carbamate
AvanafilOptimised routesteps: 5total yield: 1.74 g
(S)-pyrrolidin-2-ylmethanol→ethyl (S)-4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxylate→pyrimidin-2-ylmethanamine→ethyl 2-cyanoacetate→urea→ethyl (E)-2-cyano-3-ureidoacrylate→ethyl 6-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylate→2-chloro-4-(chloromethyl)-1-methoxybenzene→ethyl 6-((3-chloro-4-methoxybenzyl)amino)-2-oxo-1,2-dihydropyrimidine-5-carboxylate
Vonoprazan AcetateOriginator routesteps: 10total yield: 912 mg (Vonoprazan Fumarate)
1-(2-fluorophenyl)ethanone→2-bromo-1-(2-fluorophenyl)ethanone→ethyl 2-cyanoacetate→ethyl 2-cyano-4-(2-fluorophenyl)-4-oxobutanoate→ethyl 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate→ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate→(5-(2-fluorophenyl)-1H-pyrrol-3-yl)methanol→5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde→pyridine-3-sulfonyl chloride hydrochloride→5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde→fumaric acid→pyridine-3-sulfonic acid
Vonoprazan FumarateOriginator routesteps: 10total yield: 912 mg
1-(2-fluorophenyl)ethanone→2-bromo-1-(2-fluorophenyl)ethanone→ethyl 2-cyanoacetate→ethyl 2-cyano-4-(2-fluorophenyl)-4-oxobutanoate→ethyl 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate→ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate→(5-(2-fluorophenyl)-1H-pyrrol-3-yl)methanol→5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde→pyridine-3-sulfonyl chloride hydrochloride→5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde→fumaric acid→pyridine-3-sulfonic acid
Enalapril Maleate/Folic AcidProcess routesteps: 5total yield: 20.58-21.35kg(Folic Acid (Free))
2-Cyanoacetic acid ethyl ester→Aminoformamidine hydrochloride→2,4-Diamino-6-hydroxypyrimidine→2,4-Diamino-6-hydroxy-5-nitrosopyrimidine→2,5,6-Triaminopyrimidin-4(5H)-one→2-Propenal→Methyl 4-aminobenzoate→Methyl 4-[[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzoate→L-Glutamic acid monosodium salt
EtravirineOptimised routesteps: 6total yield: 24 g
4-hydroxy-3,5-dimethylbenzonitrile→1-(4-cyanophenyl)guanidine hydrochloride→ethyl 2-cyanoacetate→4-((4-amino-6-hydroxypyrimidin-2-yl)amino)benzonitrile→4-((4-amino-6-chloropyrimidin-2-yl)amino)benzonitrile→N-(6-chloro-2-((4-cyanophenyl)amino)pyrimidin-4-yl)benzamide→N-(5-bromo-6-chloro-2-((4-cyanophenyl)amino)pyrimidin-4-yl)benzamide→N-(5-bromo-6-(4-cyano-2,6-dimethylphenoxy)-2-((4-cyanophenyl)amino)pyrimidin-4-yl)benzamide
Dextran/Calcium Chloride/Potassium Chloride/Sodium Chloride/Sodium lactateOriginator routesteps: 10total yield: 912 mg (Vonoprazan Fumarate)
1-(2-fluorophenyl)ethanone→2-bromo-1-(2-fluorophenyl)ethanone→ethyl 2-cyanoacetate→ethyl 2-cyano-4-(2-fluorophenyl)-4-oxobutanoate→ethyl 2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate→ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate→(5-(2-fluorophenyl)-1H-pyrrol-3-yl)methanol→5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde→pyridine-3-sulfonyl chloride hydrochloride→5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde→fumaric acid→pyridine-3-sulfonic acid
Cefoselis SulfateOptimised routesteps: 10total yield: 231. 2g(Cefoselis Sulfate-001)
2-(5-Amino-1H-pyrazol-1-yl)ethan-1-ol→N,N-Dimethylformamide→2-Cyanoacetic acid methyl ester→2-Cyanoacetic acid ethyl ester→Propyl cyanoacetate→Butyl cyanoacetate→Methyl 2-cyano-3-(dimethylamino)prop-2-enoate→Ethyl 2-cyano-3-(dimethylamino)prop-2-enoate→Propyl 2-cyano-3-(dimethylamino)prop-2-enoate→Butyl 2-cyano-3-(dimethylamino)prop-2-enoate→2-Hydrazinoethanol→Methyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate→Ethyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate→Propyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate→Butyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate→5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid→Hex-3-enedinitrile→But-3-enenitrile→3-Oxopropanenitrile→3,3-Dimethoxypropanenitrile→3-[2-(2-Hydroxyethyl)hydrazinylidene]propanenitrile
Folic AcidProcess routesteps: 5total yield: 20.58-21.35kg(Folic Acid (Free))
2-Cyanoacetic acid ethyl ester→Aminoformamidine hydrochloride→2,4-Diamino-6-hydroxypyrimidine→2,4-Diamino-6-hydroxy-5-nitrosopyrimidine→2,5,6-Triaminopyrimidin-4(5H)-one→2-Propenal→Methyl 4-aminobenzoate→Methyl 4-[[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzoate→L-Glutamic acid monosodium salt
IruplinalkibOptimised routesteps: 9total yield: /
1-(Phenylmethyl)-4-piperidinone→3-Ethoxy-3-oxopropanenitrile→2,4-Dioxo-9-(phenylmethyl)-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile→1'-Benzylspiro[3,7-diazabicyclo[3.3.1]nonane-9,4'-piperidine]-2,4,6,8-tetrone→9-(Phenylmethyl)-3,9-diazaspiro[5.5]undecane-2,4-dione→3-Benzyl-3,9-diazaspiro[5.5]undecane→3-Boc-3,9-diazaspiro[5.5]undecane→4-Fluoro-2-methoxy-1-nitrobenzene→tert-Butyl 9-(3-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate→tert-Butyl 9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate→(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide→5-Chloro-N2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyphenyl]-N4-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine→Formaldehyde
PregabalinOptimised routesteps: 5total yield: 12 g
3-methylbutanal→3-(aminomethyl)-5-methylhexanoic acid→ethyl 2-cyanoacetate→diethyl 3-isobutylpentanedioate→3-isobutylpentanedioic acid→4-isobutylpiperidine-2,6-dione
Pazufloxacin MesylateProcess routesteps: 6total yield: 1.236 kg
(S)-ethyl 9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate→ethyl 2-cyanoacetate→ethyl (3S)-10-(1-cyano-2-ethoxy-2-oxoethyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate→(S)-10-(cyanomethyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid→(S)-10-(1-cyanocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid→(S)-10-(1-carbamoylcyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Intermediates available on this site

Side-by-side comparison of all listed offers on this CAS; price bands are list-price ranges, final price subject to RFQ confirmation.

SupplierProductPrice bandMOQLead timeQualificationsAction
Unibest Nantong cGMP Site（3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine HCL
Pharmaceutical Intermediates
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Unibest Taizhou GMP-like Site4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine
Pharmaceutical Intermediates
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Qualified Partner — East China API Works1-benzyl-4-methylpiperidin-3-one
Pharmaceutical Intermediates
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Unibest Nantong cGMP SiteN-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Pharmaceutical Intermediates
On requestOn requestOn request
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Unibest Taizhou GMP-like Site5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
Pharmaceutical Intermediates
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Qualified Partner — East China API Works2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
Pharmaceutical Intermediates
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Unibest Nantong cGMP Site5-(2-fluorophenyl)-1H-pyrrole-3-carboxylic acid methyl ester
Pharmaceutical Intermediates
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Unibest Taizhou GMP-like Site2-[2-(2-Fluorophenyl)-2-oxoethyl]propanedinitrile
Pharmaceutical Intermediates
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Qualified Partner — East China API Workspyridine-3-sulfonyl chloride
Pharmaceutical Intermediates
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Unibest Nantong cGMP Site1H-Pyrrole-3-carboxylic acid, 5-(2-fluorophenyl)-, ethyl ester
Pharmaceutical Intermediates
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Unibest Taizhou GMP-like Site5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde
Pharmaceutical Intermediates
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Qualified Partner — East China API Works5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde
Pharmaceutical Intermediates
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Unibest Nantong cGMP SiteVonoprazan
Pharmaceutical Intermediates
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Unibest Taizhou GMP-like Site3-Pyridinesulfonyl chloride
Pharmaceutical Intermediates
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Qualified Partner — East China API Works5-(2-fluorophenyl)-1H-Pyrrole-3-carboxaldehyde
Pharmaceutical Intermediates
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