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CAS 71-43-2

Benzene

Codes: (III)70353-1-a, (IV)70353-2-a, Ephedrine Sulfate-001, SALM-028, Lercanidipine Hydrochloride-032

Application context (from source-drug indications)

Bacterial and fungal infectionBetamethasone/Clotrimazole/Gentamicin SulfateHypotensionEphedrine SulfateAsthmaBudesonide/Salmeterol xinafoateEssential hypertensionValsartan/Lercanidipine HydrochlorideCandidiasisClotrimazoleVulvovaginal candidiasisClotrimazoleAspergillus infectionClotrimazoleOtitis externaClotrimazolePruritusClotrimazolePityriasis versicolorClotrimazoleChronic obstructive pulmonary diseaseSalmeterol xinafoateAsthmaSalmeterol xinafoateExercise-induced asthmaSalmeterol xinafoateBronchospasmSalmeterol xinafoateSubmental fat accumulationSalmeterol xinafoateHypertensionLercanidipine Hydrochloride

Source drugs (routes using this intermediate)

DrugTierExpiry
Betamethasone/Clotrimazole/Gentamicin SulfateTier C — Watch / trade-
Ephedrine SulfateTier C — Watch / trade-
Budesonide/Salmeterol xinafoateTier C — Watch / trade-
Valsartan/Lercanidipine HydrochlorideTier C — Watch / trade-
ClotrimazoleTier C — Watch / trade-
Salmeterol xinafoateTier C — Watch / trade-
Lercanidipine HydrochlorideTier 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.

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
Betamethasone/Clotrimazole/Gentamicin SulfateOptimised routesteps: 6total yield: /
(2-Chlorophenyl)(iodo)magnesium→(14C)-2-Chlorobenzoic acid→(14C)-2-Chlorobenzoyl chloride→Benzene→(14C)-2-Chlorobenzophenone→Bromanylbenzene→(14C)-(2-Chlorophenyl)diphenylmethanol→(14C)-1-(2-Chlorophenyl)-1,1-diphenylmethyl chloride→1,3-Diaza-2,4-cyclopentadiene→(14C)-1-[1-(2-Chlorophenyl)-1,1-diphenylmethyl]-1H-imidazole
Ephedrine SulfateOptimised routesteps: 6total yield: /
Benzene→2-Chloropropanoyl chloride→2-Chloro-1-phenylpropan-1-one→alpha-Bromopropiophenone→Methylamine→2-(Methylamino)-1-phenylpropan-1-one→(2R,3R)-2,3-Bis(benzoyloxy)butanedioic acid (2S)-2-(methylamino)-1-phenylpropan-1-one (1/2)→(2R,3R)-2,3-Bis(benzoyloxy)butanedioic acid (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol (1/2)→(-)-2(S)-(Methylamino)-1(R)-phenylpropan-1-ol hydrochloride→(-)-2(S)-(Methylamino)-1(R)-phenylpropan-1-ol
Budesonide/Salmeterol xinafoateOptimised routesteps: 11total yield: 1.3 g (Salmeterol xinafoate)
SALM-025→methyl 5-acetyl-2-hydroxybenzoate→SALM-026→SALM-027→N-benzyl-6-(4-phenylbutoxy)hexan-1-amine→SALM-028→SALM-029→SALM-030→SALM-031→SALM-032→4-phenylbutan-1-ol→SALM-033→SALM-034
Valsartan/Lercanidipine HydrochlorideOptimised routesteps: 5total yield: /
3-Phenyl-2(E)-propenoic acid→(2E)-3-phenylprop-2-enoyl chloride→Methylamine→N-Methyl-3-phenylacrylamide→Benzene→N-Methyl-3,3-diphenylpropanamide→(3,3-Diphenylpropyl)(methyl)amine→1-Chloro-2-methyl-2-propanol→1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methylpropan-2-ol→Methyl 5-[[(diethoxyphosphoryl)oxy]carbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate→(+/-)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic acid
Valsartan/Lercanidipine HydrochlorideOptimised routesteps: 4total yield: /
1-Phenylethan-1-one→Methanamine hydrochloride→3-(Methylamino)-1-phenylpropan-1-one→(+/-)-n-Methyl-3-hydroxy-3-phenylpropylamine→Benzene→N-(3,3-Diphenylpropyl)-N-methylamine hydrochloride
ClotrimazoleOptimised 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
ClotrimazoleOptimised routesteps: 6total yield: /
(2-Chlorophenyl)(iodo)magnesium→(14C)-2-Chlorobenzoic acid→(14C)-2-Chlorobenzoyl chloride→Benzene→(14C)-2-Chlorobenzophenone→Bromanylbenzene→(14C)-(2-Chlorophenyl)diphenylmethanol→(14C)-1-(2-Chlorophenyl)-1,1-diphenylmethyl chloride→1,3-Diaza-2,4-cyclopentadiene→(14C)-1-[1-(2-Chlorophenyl)-1,1-diphenylmethyl]-1H-imidazole
Salmeterol xinafoateOptimised routesteps: 11total yield: 1.3 g (Salmeterol xinafoate)
SALM-025→methyl 5-acetyl-2-hydroxybenzoate→SALM-026→SALM-027→N-benzyl-6-(4-phenylbutoxy)hexan-1-amine→SALM-028→SALM-029→SALM-030→SALM-031→SALM-032→4-phenylbutan-1-ol→SALM-033→SALM-034
Lercanidipine HydrochlorideOptimised routesteps: 5total yield: /
3-Phenyl-2(E)-propenoic acid→(2E)-3-phenylprop-2-enoyl chloride→Methylamine→N-Methyl-3-phenylacrylamide→Benzene→N-Methyl-3,3-diphenylpropanamide→(3,3-Diphenylpropyl)(methyl)amine→1-Chloro-2-methyl-2-propanol→1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methylpropan-2-ol→Methyl 5-[[(diethoxyphosphoryl)oxy]carbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate→(+/-)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic acid
Lercanidipine HydrochlorideOptimised routesteps: 4total yield: /
1-Phenylethan-1-one→Methanamine hydrochloride→3-(Methylamino)-1-phenylpropan-1-one→(+/-)-n-Methyl-3-hydroxy-3-phenylpropylamine→Benzene→N-(3,3-Diphenylpropyl)-N-methylamine hydrochloride

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