Unibest 优贝德
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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、Tilidine Hydrochloride-002、ALOG-012、ETRA-007、POSA-010

Application context (from source-drug indications)

糖尿病神经病变苯磺酸美洛加巴林疱疹后神经痛苯磺酸美洛加巴林周围神经系统疾病苯磺酸美洛加巴林收缩性心力衰竭非奈利酮舒张期心力衰竭非奈利酮心脏衰竭非奈利酮慢性肾功能不全非奈利酮糖尿病肾病非奈利酮二型糖尿病非奈利酮避孕屈螺酮口腔炎,口疮屈螺酮经前焦虑性障碍屈螺酮经前期综合征屈螺酮痛经屈螺酮抑郁屈螺酮疼痛盐酸替立定二型糖尿病苯甲酸阿格列汀糖尿病苯甲酸阿格列汀急性冠脉综合征苯甲酸阿格列汀HIV感染依曲韦林弗里德赖希共济失调依曲韦林炎性疾病依曲韦林胰岛素抵抗依曲韦林念珠菌病泊沙康唑曲霉菌属感染泊沙康唑真菌感染泊沙康唑口腔念珠菌病泊沙康唑球孢菌病泊沙康唑组织胞浆菌病泊沙康唑

Source drugs (routes using this intermediate)

DrugTierExpiry
苯磺酸美洛加巴林Mirogabalin besilateTier C — Watch / trade2030
非奈利酮FinerenoneTier C — Watch / trade2030
屈螺酮DrospirenoneTier C — Watch / trade-
盐酸替立定Tilidine HydrochlorideTier C — Watch / trade-
苯甲酸阿格列汀Alogliptin BenzoateTier C — Watch / trade-
依曲韦林EtravirineTier C — Watch / trade-
泊沙康唑PosaconazoleTier 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.

屈螺酮优化路线steps: 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
屈螺酮优化路线steps: 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
盐酸替立定优化路线steps: 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
泊沙康唑原研路线steps: 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

Intermediates available on this site

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SupplierProductPrice bandMOQLead timeQualifications
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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