CAS 288-32-4

1H-imidazole1,3-Diaza-2,4-cyclopentadiene

Codes: PRET-008, (V)70353-1-a, (IX)70353-2-a, (II)70353-4-a, DIQU-003, MICO-003

Application context (from source-drug indications)

Mycobacterium tuberculosis infectionPretomanidMultidrug-resistant tuberculosisPretomanidPulmonary tuberculosisPretomanidExtensively drug-resistant tuberculosisPretomanidRenal impairmentPretomanidBacterial and fungal infectionBetamethasone/Clotrimazole/Gentamicin SulfateDry eye diseaseDiquafosol TetrasodiumDry eye syndromeDiquafosol TetrasodiumKeratoconjunctivitis siccaDiquafosol TetrasodiumTrichomoniasisMiconazole/Metronidazole/LidocaineCandidiasisMiconazole/Metronidazole/LidocaineVaginitisMiconazole/Metronidazole/LidocaineCandidiasisClotrimazoleVulvovaginal candidiasisClotrimazoleAspergillus infectionClotrimazoleOtitis externaClotrimazolePruritusClotrimazolePityriasis versicolorClotrimazoleDermatomycosisMiconazoleTineaMiconazolePityriasis versicolorMiconazoleCandidiasisMiconazoleOral candidiasisMiconazole

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Pretomanid	Tier C — Watch / trade	-
Betamethasone/Clotrimazole/Gentamicin Sulfate	Tier C — Watch / trade	-
Diquafosol Tetrasodium	Tier C — Watch / trade	-
Miconazole/Metronidazole/Lidocaine	Tier C — Watch / trade	-
Clotrimazole	Tier C — Watch / trade	-
Miconazole	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.

PretomanidOptimised routesteps: 8total yield: 13.33 g (Pretomanid)

2,4-dinitro-1H-imidazole→(6S)-2-nitro-6-((tetrahydro-2H-pyran-2-yl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine→(S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol→1-(bromomethyl)-4-(trifluoromethoxy)benzene→1H-imidazole→4-nitro-1H-imidazole→1,4-dinitro-1H-imidazole→(S)-oxiran-2-ylmethyl butyrate→(S)-3-(2,4-dinitro-1H-imidazol-1-yl)-2-hydroxypropyl butyrate→(2S)-3-(2,4-dinitro-1H-imidazol-1-yl)-2-((tetrahydro-2H-pyran-2-yl)oxy)propyl butyrate

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

Betamethasone/Clotrimazole/Gentamicin SulfateOptimised routesteps: 1total yield: /

(2-Chlorophenyl) diphenyl chloromethane→1,3-Diaza-2,4-cyclopentadiene

Diquafosol TetrasodiumOptimised routesteps: 2total yield: /

((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogen diphosphate→1H-imidazole→(1H-imidazol-1-yl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride

Miconazole/Metronidazole/LidocaineOptimised routesteps: 1total yield: 34 g

2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol→2,4-dichloro-1-(chloromethyl)benzene→1H-imidazole→1-(2-((2,4-dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole

ClotrimazoleOptimised routesteps: 3total yield: /

ClotrimazoleOptimised routesteps: 6total yield: /

ClotrimazoleOptimised routesteps: 1total yield: /

(2-Chlorophenyl) diphenyl chloromethane→1,3-Diaza-2,4-cyclopentadiene

MiconazoleOptimised routesteps: 1total yield: 34 g

2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol→2,4-dichloro-1-(chloromethyl)benzene→1H-imidazole→1-(2-((2,4-dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole

Intermediates available on this site

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