CAS 1774-47-6

Trimethyl sulfoxide iodide

Codes: (XVIII)169995-2-a, (II)169995-25-a, Phenylephrine Hydrochloride-003

Application context (from source-drug indications)

ContraceptionDrospirenoneStomatitis, aphthousDrospirenonePremenstrual dysphoric disorderDrospirenonePremenstrual syndromeDrospirenoneDysmenorrhoeaDrospirenoneDepressionDrospirenoneCommon coldIbuprofen/Phenylephrine HydrochlorideFeverIbuprofen/Phenylephrine HydrochlorideHeadacheIbuprofen/Phenylephrine HydrochlorideMydriasisPhenylephrine HydrochlorideHypotensionPhenylephrine HydrochlorideCycloplegiaPhenylephrine HydrochlorideSupraventricular tachycardiaPhenylephrine HydrochlorideShockPhenylephrine HydrochlorideIschaemic strokePhenylephrine Hydrochloride

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Drospirenone	Tier C — Watch / trade	-
Ibuprofen/Phenylephrine Hydrochloride	Tier C — Watch / trade	-
Phenylephrine 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.

DrospirenoneOptimised routesteps: 5total yield: /

(2S,4aR,4bS,6aS,7aS,8aS,8bR,8cR)-2-Hydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one→3-Bromo-1,1-dimethoxypropane→(1R,2R,3S,5S,6S,7S,10S,11R,14S)-6-(3,3-dimethoxypropyl)-7,11-dimethylpentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadec-16-ene-6,14-diol→(1'R,2S,2'R,3'S,5'S,7'S,10'S,11'R,14'S)-7',11'-dimethylspiro[oxolane-2,6'-pentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadecan]-16'-ene-5,14'-diol→(1'R,2S,2'R,3'S,5'S,7'S,10'S,11'R)-7',11'-dimethylspiro[oxolane-2,6'-pentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadecan]-15'-ene-5,14'-dione→(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R)-7',11'-dimethylspiro[oxolane-2,6'-pentacyclo[8.8.0.0(2,7).0(3,5).0(11,16)]octadecane]-15',17'-diene-5,14'-dione→Trimethyl sulfoxide iodide

DrospirenoneOptimised routesteps: 1total yield: /

(3beta,7alpha,15alpha)-3,7,15-Trihydroxyandrost-5-en-17-one→Trimethyl sulfoxide iodide→(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,9S)-2,9-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one

Ibuprofen/Phenylephrine HydrochlorideOptimised routesteps: 6total yield: /

(3-Hydroxyphenyl)formaldehyde→3-[(2-methoxyethoxy)methoxy]benzaldehyde→Trimethyl sulfoxide iodide→2-{3-[(2-methoxyethoxy)methoxy]phenyl}oxirane→(1S)-1-{3-[(2-methoxyethoxy)methoxy]phenyl}ethane-1,2-diol→(2R)-2-{3-[(2-methoxyethoxy)methoxy]phenyl}oxirane→(1R)-1-{3-[(2-methoxyethoxy)methoxy]phenyl}-2-(methylamino)ethanol

Phenylephrine HydrochlorideOptimised routesteps: 6total yield: /

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