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CAS 105-53-3

diethyl malonateCarbethoxyacetic ester1,3-Diethyl propanedioate

Codes: MRIO-011, (III)638294-4-a, (VI)169995-7-a, (IX)169995-10-a, (IIIb)169995-24-a, Lercanidipine Hydrochloride-017, Tilidine Hydrochloride-002, ALOG-012, ETRA-007, POSA-010, D-RUXO-002, PREG-012

Application context (from source-drug indications)

Diabetic neuropathyMirogabalin besilatePostherpetic neuralgiaMirogabalin besilatePeripheral nervous system disorderMirogabalin besilateSystolic heart failureFinerenoneDiastolic heart failureFinerenoneHeart failureFinerenoneChronic renal impairmentFinerenoneDiabetic nephropathyFinerenoneType 2 diabetesFinerenoneContraceptionDrospirenoneStomatitis, aphthousDrospirenonePremenstrual dysphoric disorderDrospirenonePremenstrual syndromeDrospirenoneDysmenorrhoeaDrospirenoneDepressionDrospirenoneEssential hypertensionValsartan/Lercanidipine HydrochloridePainTilidine HydrochlorideType 2 diabetesAlogliptin BenzoateDiabetesAlogliptin BenzoateAcute coronary syndromeAlogliptin BenzoateHIV infectionEtravirineFriedreich's ataxiaEtravirineInflammatory diseaseEtravirineInsulin resistanceEtravirineCandidiasisPosaconazoleAspergillus infectionPosaconazoleFungal infectionPosaconazoleOral candidiasisPosaconazoleCoccidioidomycosisPosaconazoleHistoplasmosisPosaconazoleHypertensionLercanidipine HydrochlorideAlopecia areataDeuterated ruxolitinibRenal impairmentDeuterated ruxolitinibHepatic function declineDeuterated ruxolitinibFibromyalgiaPregabalinSeizurePregabalinPostherpetic neuralgiaPregabalin神经痛PregabalinPartial-onset seizurePregabalinDiabetic neuropathyPregabalin

Source drugs (routes using this intermediate)

DrugTierExpiry
Mirogabalin besilateTier C — Watch / trade2030
FinerenoneTier C — Watch / trade2030
DrospirenoneTier C — Watch / trade-
Valsartan/Lercanidipine HydrochlorideTier C — Watch / trade-
Tilidine HydrochlorideTier C — Watch / trade-
Alogliptin BenzoateTier C — Watch / trade-
EtravirineTier C — Watch / trade-
PosaconazoleTier C — Watch / trade-
Lercanidipine HydrochlorideTier C — Watch / trade-
Deuterated ruxolitinibTier C — Watch / trade-
PregabalinTier B — Position early-

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.

DrospirenoneOptimised routesteps: 8total yield: /
(2R,12S,15S)-12-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-ene-5,14-dione→(2R,12S,15S)-2,15-dimethyl-5,14-dioxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-12-yl acetate→(2R,12S,15S)-5-methoxy-2,15-dimethyl-14-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-5,7-dien-12-yl acetate→(3S,5S,7S,11R)-14-methoxy-7,11-dimethylpentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadeca-14,16-dien-6-one→(3'S,5'S,7'S,11'R)-14'-methoxy-7',11'-dimethylspiro[oxirane-2,6'-pentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadecane]-14',16'-diene→Carbethoxyacetic ester→ethyl (3'S,5'S,7'S,11'R)-14'-methoxy-7',11'-dimethyl-5-oxospiro[oxolane-2,6'-pentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadecane]-14',16'-diene-4-carboxylate→ethyl (2S,3'S,5'S,7'S,11'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadecane]-15',17'-diene-4-carboxylate→ethyl (2R,4R,10R,14S,15S,16S,18S)-10,14-dimethyl-5',7-dioxospiro[hexacyclo[9.8.0.0(2,4).0(5,10).0(14,19).0(16,18)]nonadecane-15,2'-oxolan]-5-ene-4'-carboxylate
DrospirenoneOptimised routesteps: 5total yield: /
(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethylperhydrocyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one→(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-5a,7a-Dimethylhexadecahydrospiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-oxirane]-1b,3(2H)-diol→3-(Ethoxycarbonyl)-2-oxopropan-1-ide→Carbethoxyacetic ester→Sodium 3-ethoxy-3-oxopropanoate→(1aR,1bR,3S,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylic acid→Ethyl (1aR,1bR,3S,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b,3-dihydroxy-5a,7a-dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylate→(1aR,1bR,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b-Hydroxy-5a,7a-dimethyl-3,5'-dioxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylic acid→Ethyl (1aR,1bR,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b-hydroxy-5a,7a-dimethyl-3,5'-dioxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylate→Sodium (1aR,1bR,3S,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b,3-dihydroxy-5a,7a-dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylate→Sodium (1aR,1bR,5aR,5bS,7aS,8R,8aS,9aS,9bS,9cR,9dR)-1b-hydroxy-5a,7a-dimethyl-3,5'-dioxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3'-carboxylate
Valsartan/Lercanidipine HydrochlorideOptimised routesteps: 2total yield: /
(3,3-Diphenylpropyl)(methyl)amine→1,3-Diethyl propanedioate→1,1-Diphenylmethanol→Diethyl (diphenylmethyl)propanedioate→Ethyl 3,3-diphenylpropanoate→Methylamine→N-Methyl-3,3-diphenylpropanamide
Tilidine HydrochlorideOptimised routesteps: 5total yield: /
1-(Bromomethyl)benzene→1,3-Diethyl propanedioate→Ethyl 2-phenylacetate→Ethyl 2-phenylprop-2-enoate→2,2,2-Trichloroethyl (1E)-buta-1,3-dien-1-ylcarbamate→2,2,2-Trichloroethyl trans-6-(ethoxycarbonyl)-6-phenyl-2-cyclohexen-1-carbamate→(1R*,6S*)-6-Amino-1-phenyl-3-cyclohexene-1-carboxylic acid ethyl ester→Ethyl trans-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
PosaconazoleOriginator routesteps: 17total yield: 0.26 g
(R)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol→(R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl methanesulfonate→(R)-1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole→diethyl malonate→ethyl (5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-2-oxotetrahydrofuran-3-carboxylate→(R)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)-5-(1H-1,2,4-triazol-1-yl)pentane-1,4-diol→(R)-2-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)→((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate→4-(4-(4-nitrophenyl)piperazin-1-yl)phenol→1-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-4-(4-nitrophenyl)piperazine→4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)aniline→phenyl carbonochloridate→phenyl (4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)carbamate→N-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)hydrazinecarboxamide→4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one→(2S,3R)-2-((benzyloxy)methoxy)pentan-3-yl 4-bromobenzenesulfonate→2-chloro-1-(2,4-difluorophenyl)ethan-1-one→2-(2,4-difluorophenyl)-2-oxoethyl acetate→2-(2,4-difluorophenyl)allyl acetate→2-(2,4-difluorophenyl)prop-2-en-1-ol→(S)-(2-(2,4-difluorophenyl)oxiran-2-yl)methanol→1H-1,2,4-triazole
Lercanidipine HydrochlorideOptimised routesteps: 2total yield: /
(3,3-Diphenylpropyl)(methyl)amine→1,3-Diethyl propanedioate→1,1-Diphenylmethanol→Diethyl (diphenylmethyl)propanedioate→Ethyl 3,3-diphenylpropanoate→Methylamine→N-Methyl-3,3-diphenylpropanamide
Deuterated ruxolitinibOriginator routesteps: 8total yield: 19 mg (Deuterated Ruxolitinib)
1,4-dibromobutane-1,1,2,2,3,3,4,4-d8→diethyl malonate→diethyl cyclopentane-1,1-dicarboxylate-d8→cyclopentane-1-carboxylic-2,2,3,3,4,4,5,5-d8 acid→N-methoxy-N-methylcyclopentane-1-carboxamide-2,2,3,3,4,4,5,5-d8→cyclopentane-2,2,3,3,4,4,5,5-d8-1-carbaldehyde→(E)-3-(cyclopentyl-2,2,3,3,4,4,5,5-d8)acrylonitrile→(4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate→(4-(1-(2-cyano-1-(cyclopentyl-2,2,3,3,4,4,5,5-d8)ethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate→(R)-(4-(1-(2-cyano-1-(cyclopentyl-2,2,3,3,4,4,5,5-d8)ethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate→(R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-(cyclopentyl-2,2,3,3,4,4,5,5-d8)propanenitrile

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 Site4-Bromo-2-methoxybenzaldehyde
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Unibest Taizhou GMP-like Site4-formyl-3-methoxybenzonitrile
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Qualified Partner — East China API Works4-AMino-5-Methylpyridin-2-ol
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Unibest Nantong cGMP Site2-chloro-5-methylpyridin-4-amine
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Unibest Taizhou GMP-like Site2-Cyanoethyl 3-oxobutanoate
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Qualified Partner — East China API Works2-cyanoethyl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
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Qualified Partner — East China API Works(1R,5S)-3-ethyl-Bicyclo[3.2.0]hept-3-en-6-one
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Unibest Nantong cGMP Site3-ethylbicyclo[3.2.0]hept-3-en-6-one
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