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CAS 541-16-2

1,3-Bis(1,1-dimethylethyl) propanedioatedi-tert-butyl malonate

Codes: (VI)140605-3-a, RISD-027, PAZU-002

Application context (from source-drug indications)

Bladder cancerDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Head and neck cancerDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Head and neck squamous cell carcinomaDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Solid tumourDocetaxel polymeric micelle (Samyang Biopharmaceuticals)Non-small cell lung cancerDocetaxel (Beihai)Prostate cancerDocetaxel (Beihai)Castration-resistant prostate cancerDocetaxel (Beihai)Breast cancerDocetaxel (Beihai)Head and neck cancerDocetaxel (Beihai)Head and neck squamous cell carcinomaDocetaxel (Beihai)Spinal muscular atrophyRisdiplam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
Docetaxel polymeric micelle (Samyang Biopharmaceuticals)Tier C — Watch / trade-
Docetaxel (Beihai)Tier C — Watch / trade-
RisdiplamTier 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.

Docetaxel polymeric micelle (Samyang Biopharmaceuticals)Optimised routesteps: 5total yield: /
[2aR-(2aalpha,4beta,4abeta,6beta,9alpha(2R,3S),11beta,12alpha,12aalpha,12balpha]-6-Acetoxy-9-[3-(4-deuterobenzamido)-2-hydroxy-3-phenylpropionyloxy]-12-(benzoyloxy)-12b-(trideuteroacetoxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benz[1,2-b]oxet- 5-one→Benzoic acid (2alpha,5beta,7beta,10beta,13alpha)-4,10-diacetoxy-1,7-dihydroxy-13-[2(R)-hydroxy-3(S)-[2-methyl-2(E)-butenoylamino]-3-phenylpropionyloxy]-9-oxo-5,20-epoxytax-11-en-2-yl ester→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-(cyclopentylformamido)-2-hydroxy-3-phenylpropanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-13-[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→3'-N-Debenzoyl-3'-N-[2-methyl-2(E)-butenamido]paclitaxel→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-(cyclopentylformamido)-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,10-dihydroxy-9-oxo-13-([(2R,3S)-3-phenyl-3-[(phenylcarbonyl)amino]-2-[(triethylsilyl)oxy]propanoyl]oxy)-7-[(triethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-10,14,17,17-tetramethyl-15-{[(2R,3S)-3-(2-methylbut-2-enamido)-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-(cyclopentylformamido)-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-{[(2R,3S)-3-phenyl-3-[(E)-(phenylmethylidene)amino]-2-[(triethylsilyl)oxy]propanoyl]oxy}-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-10,14,17,17-tetramethyl-15-{[(2R,3S)-3-[(E)-(2-methylbut-2-en-1-ylidene)amino]-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-[(E)-(cyclopentylmethylidene)amino]-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(Acetyloxy)-15-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→1,3-Bis(1,1-dimethylethyl) propanedioate
Docetaxel (Beihai)Optimised routesteps: 4total yield: /
[2aR-(2aalpha,4beta,4abeta,6beta,9alpha(2R,3S),11beta,12alpha,12aalpha,12balpha]-6-Acetoxy-9-[3-(4-deuterobenzamido)-2-hydroxy-3-phenylpropionyloxy]-12-(benzoyloxy)-12b-(trideuteroacetoxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benz[1,2-b]oxet- 5-one→Benzoic acid (2alpha,5beta,7beta,10beta,13alpha)-4,10-diacetoxy-1,7-dihydroxy-13-[2(R)-hydroxy-3(S)-[2-methyl-2(E)-butenoylamino]-3-phenylpropionyloxy]-9-oxo-5,20-epoxytax-11-en-2-yl ester→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-15-{[(2R,3S)-3-(cyclopentylformamido)-2-hydroxy-3-phenylpropanoyl]oxy}-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-13-[[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy]-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate→3'-N-Debenzoyl-3'-N-[2-methyl-2(E)-butenamido]paclitaxel→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-(cyclopentylformamido)-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(2alpha,5beta,7beta,10beta,13alpha)-4-(Acetyloxy)-1,10-dihydroxy-9-oxo-13-([(2R,3S)-3-phenyl-3-[(phenylcarbonyl)amino]-2-[(triethylsilyl)oxy]propanoyl]oxy)-7-[(triethylsilyl)oxy]-5,20-epoxytax-11-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-10,14,17,17-tetramethyl-15-{[(2R,3S)-3-(2-methylbut-2-enamido)-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-(cyclopentylformamido)-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-{[(2R,3S)-3-phenyl-3-[(E)-(phenylmethylidene)amino]-2-[(triethylsilyl)oxy]propanoyl]oxy}-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-10,14,17,17-tetramethyl-15-{[(2R,3S)-3-[(E)-(2-methylbut-2-en-1-ylidene)amino]-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-[(E)-(cyclopentylmethylidene)amino]-3-phenyl-2-[(triethylsilyl)oxy]propanoyl]oxy}-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(triethylsilyl)oxy]-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(Acetyloxy)-15-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3,10).0(4,7)]heptadec-13-en-2-yl benzoate→1,3-Bis(1,1-dimethylethyl) propanedioate

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
Qualified Partner — East China API Works7-fluoro-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
Pharmaceutical Intermediates
On requestOn requestOn request
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Unibest Nantong cGMP Site4-Boc-4,7-diazaspiro[2.5]octane
Pharmaceutical Intermediates
On requestOn requestOn request
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Unibest Taizhou GMP-like Site2,8-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazine
Pharmaceutical Intermediates
On requestOn requestOn request
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