CAS 100-58-3

Bromo(phenyl)magnesiumphenylmagnesium bromide

Codes: (I)101438-38-a, (IX)70353-1-a, (II)663167-2-a, Ioflupane (123I)-018, LPHE-004

Application context (from source-drug indications)

Breast cancerPaclitaxel/Encequidar mesylateAdenocarcinomaPaclitaxel/Encequidar mesylateAngiosarcomaPaclitaxel/Encequidar mesylateSolid tumourPaclitaxel/Encequidar mesylateBacterial and fungal infectionBetamethasone/Clotrimazole/Gentamicin SulfatePancreatic cancerPaclitaxelNon-small cell lung cancerPaclitaxelHodgkin's diseasePaclitaxelSeminomaPaclitaxelOvarian cancerPaclitaxelBreast cancerPaclitaxelCandidiasisClotrimazoleVulvovaginal candidiasisClotrimazoleAspergillus infectionClotrimazoleOtitis externaClotrimazolePruritusClotrimazolePityriasis versicolorClotrimazoleBiliary tract cancerTasurgratinibBile duct cancerTasurgratinibSolid tumourTasurgratinibCholangiocarcinomaTasurgratinibBreast cancerTasurgratinibHepatic function declineTasurgratinibLewy body dementiaIoflupane (123I)Diagnostic agentIoflupane (123I)ParkinsonismIoflupane (123I)Alzheimer's diseaseIoflupane (123I)Parkinson's diseaseIoflupane (123I)DementiaIoflupane (123I)晕动病L-Phencynonate HydrochlorideCerebral infarctionL-Phencynonate HydrochlorideVertigoL-Phencynonate Hydrochloride

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Paclitaxel/Encequidar mesylate	Tier C — Watch / trade	-
Betamethasone/Clotrimazole/Gentamicin Sulfate	Tier C — Watch / trade	-
Paclitaxel	Tier B — Position early	-
Clotrimazole	Tier C — Watch / trade	-
Tasurgratinib	Tier C — Watch / trade	-
Ioflupane (123I)	Tier C — Watch / trade	-
L-Phencynonate Hydrochloride	Tier 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.

Paclitaxel/Encequidar mesylateOptimised routesteps: 3total yield: /

Bromo(phenyl)magnesium→[C11]Benzoic acid→ortho-Phthaloyl chloride→[11C]Benzoyl chloride→(2alpha,5beta,7beta,10beta,13alpha)-4,10-Bis(acetyloxy)-13-[[(2R,3S)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy]-1,7-dihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

Betamethasone/Clotrimazole/Gentamicin SulfateOptimised routesteps: 3total yield: /

1-Chloranyl-2-methylbenzene→1-Chloro-2-(trichloromethyl)benzene→Benzene→(2-Chlorophenyl) diphenyl chloromethane→Bromo(phenyl)magnesium→1,3-Diaza-2,4-cyclopentadiene→(2-Chlorophenyl)(phenyl)methanone→(2-Chlorophenyl)phenyldichloromethane→(2-Chlorophenyl)-diphenylmethanol→Silver imidazolate

PaclitaxelOptimised routesteps: 3total yield: /

ClotrimazoleOptimised routesteps: 3total yield: /

TasurgratinibOptimised routesteps: 3total yield: /

1-(Phenylmethyl)-4-piperidinone→Bromo(phenyl)magnesium→1-Benzyl-4-phenylpiperidin-4-ol→1-Benzyl-4-phenyl-1,2,3,6-tetrahydropyridine→4-Phenylpiperidine

Ioflupane (123I)Optimised routesteps: 6total yield: /

Methyl(2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate→Methyl(2R,3S)-3-(benzyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate→Methyl8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate→Bromo(phenyl)magnesium→Methyl(2S,3S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate→Methyl(2S,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate→Methyl(2S,3S)-8-methyl-3-[4-(tributylstannyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate→Methyl(2S,3S)-3-[4-[123I]iodophenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

L-Phencynonate HydrochlorideOriginator routesteps: 7total yield: /

cyclopentylmagnesium bromide→diethyl oxalate→ethyl 2-cyclopentyl-2-oxoacetate→phenylmagnesium bromide→ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate→2-cyclopentyl-2-hydroxy-2-phenylacetic acid→(S)-1-phenylpropan-2-amine→(S)-1-phenylpropan-2-amine (R)-2-cyclopentyl-2-hydroxy-2-phenylacetate→(R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid→(R)-methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate→(1R,5S,9s)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol

Intermediates available on this site

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This is a CAS-level registry record: registrations across routes are merged. Supplier offers and buyer demands will be matched on this CAS as the primary key.