CAS 110-85-0

piperazinePiperazineDiethylenediamine1,4-Diazacyclohexane

Codes: PALB-042, OLAP-013, RIBO-012, BREX-006, VORT-004, Rifampicin-001, RANO-004, POSA-037, Urapidil-012

Physicochemical properties & identification

Appearance: White to colourless crystals or flakes; strongly hygroscopic, with an amine odour
Solubility: Very readily soluble in water and ethanol; a strong base (pKa1 ≈ 5.6 / pKa2 ≈ 9.8)
Storage: Seal under nitrogen and protect from moisture; keep away from acids and oxidising agents

Applications

· Pharmaceutical building block: the core amine source for piperazine-ring CNS drugs such as aripiprazole, brexpiprazole and cariprazine
· Raw material for the anthelmintic piperazine salts (citrate / phosphate)
· CO2 capture (activator in MDEA formulations); epoxy curing agent

Application context (from source-drug indications)

Breast cancerPalbociclibEndometrial cancerOlaparibCastration-resistant prostate cancerOlaparibProstate cancerOlaparibPeritoneal cancerOlaparibEpithelial ovarian cancerOlaparibFallopian tube cancerOlaparibBreast cancerRibociclib SuccinateSchizophreniaBrexpiprazoleAlzheimer's diseaseBrexpiprazoleAgitationBrexpiprazoleDepressionBrexpiprazoleDepressive disorderBrexpiprazoleMajor depressive disorderBrexpiprazoleMajor depressive disorderVortioxetine HydrobromidePostoperative painVortioxetine HydrobromideCannabis dependenceVortioxetine HydrobromideAnxietyVortioxetine HydrobromideAnxiety disorderVortioxetine HydrobromideDepressionVortioxetine HydrobromideMycobacterium tuberculosis infectionEthambutol Hydrochloride/Rifampicin/IsoniazidAngina pectorisRanolazineMyocardial infarctionRanolazineAmyotrophic lateral sclerosisRanolazineStable anginaRanolazineCrohn's diseaseRanolazineInflammatory bowel diseaseRanolazineCandidiasisPosaconazoleAspergillus infectionPosaconazoleFungal infectionPosaconazoleOral candidiasisPosaconazoleCoccidioidomycosisPosaconazoleHistoplasmosisPosaconazoleMycobacterium tuberculosis infectionRifampicinMycobacterium leprae infectionRifampicinPulmonary tuberculosisRifampicinMeningococcal meningitisRifampicinCOVID-19RifampicinRespiratory viral infectionRifampicinHypertensionUrapidil hydrochloride

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Palbociclib	Tier A — Act now	2027
Olaparib	Tier A — Act now	2028
Ribociclib Succinate	Tier A — Act now	2029
Brexpiprazole	Tier A — Act now	2029
Vortioxetine Hydrobromide	Tier B — Position early	-
Ethambutol Hydrochloride/Rifampicin/Isoniazid	Tier C — Watch / trade	-
Ranolazine	Tier C — Watch / trade	-
Posaconazole	Tier C — Watch / trade	-
Rifampicin	Tier C — Watch / trade	-
Urapidil 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.

PalbociclibOptimised routesteps: 10total yield: 21.3 g

tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate→5-bromo-2-nitropyridine→tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate→piperazine→1-(6-nitropyridin-3-yl)piperazine→PALB-044→(Z)-tert-butyl 4-(6-(2,3-bis(tert-butoxycarbonyl)guanidino)pyridin-3-yl)piperazine-1-carboxylate→1-(5-(piperazin-1-yl)pyridin-2-yl)guanidine hydrochloride→(E)-methyl 2-acetylbut-2-enoate→6-acetyl-4-amino-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one→6-acetyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one→chlorocyclopentane→6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one→methyl 3-oxobutanoate

OlaparibOptimised routesteps: 6total yield: 8.67 g

3-hydroxyisobenzofuran-1(3H)-one→2-fluoro-5-formylbenzonitrile→(Z)-2-fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile→2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid→cyclopropanecarbonyl chloride→2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile→cyclopropyl(piperazin-1-yl)methanone hydrochloride→piperazine

Ribociclib SuccinateOriginator routesteps: 9total yield: 45.7 g

5-bromo-2,4-dichloropyrimidine→cyclopentanamine→5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine→prop-2-yn-1-ol→3-(2-chloro-4-(cyclopentylamino)pyrimidin-5-yl)prop-2-yn-1-ol→(2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanol→dimethylamine→2-chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide→tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate→tert-butyl 4-(6-((7-cyclopentyl-6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate→5-chloro-2-nitropyridine→piperazine→1-(6-nitropyridin-3-yl)piperazine→tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate

BrexpiprazoleOriginator routesteps: 3total yield: 13.6 g

7-hydroxyquinolin-2(1H)-one→1-bromo-4-chlorobutane→7-(4-chlorobutoxy)quinolin-2(1H)-one→1-(benzo[b]thiophen-4-yl)piperazine hydrochloride→4-bromobenzo[b]thiophene→piperazine

Vortioxetine HydrobromideOriginator routesteps: 5total yield: 13.3 g

1,2-dichlorobenzene→VORT-002→VORT-003→piperazine→VORT-005→2,4-dimethylbenzenethiol→VORT-007

Vortioxetine HydrobromideProcess routesteps: 3total yield: 895 g

piperazine→2,4-dimethylbenzenethiol→1-bromo-2-iodobenzene→1-(2-bromophenyl)piperazine

Ethambutol Hydrochloride/Rifampicin/IsoniazidOptimised routesteps: 4total yield: 572g([11C]rifampicin (FREE))

Piperazine→1-Nitrosopiperazine→1-Aminopiperazine→3-Formylrifamycin→Iodo[11C]methane→Trifluoromethanesulfonic acid [11C]methyl ester→Acetic acid (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-8-(piperazin-1-yliminomethyl)-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl ester→3-(4-[11C]Methylpiperazin-1-yliminomethyl)rifamycin

RanolazineProcess routesteps: 3total yield: 5.9 kg

2-chloroacetyl chloride→2,6-dimethylaniline→2-chloro-N-(2,6-dimethylphenyl)acetamide→piperazine→N-(2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide→2-((2-methoxyphenoxy)methyl)oxirane

RanolazineOriginator routesteps: 3total yield: 140 g

2-chloro-N-(2,6-dimethylphenyl)acetamide→piperazine→2-((2-methoxyphenoxy)methyl)oxirane→2-methoxyphenol→2-(chloromethyl)oxirane→1-(2-methoxyphenoxy)-3-(piperazin-1-yl)propan-2-ol

PosaconazoleOptimised routesteps: 4total yield: /

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate→4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one→2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-bromophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one→piperazine→2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one→1-(((2R,4R)-4-((4-bromophenoxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole→4-bromophenol

RifampicinOptimised routesteps: 4total yield: 572g([11C]rifampicin (FREE))

Urapidil hydrochlorideOptimised routesteps: 7total yield: /

6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione→6-Chloro-1,3-dimethyluracil→3-Aminopropan-1-ol→3-Chloropropylamine hydrochloride→6-(3-Hydroxypropyl)-1,3-dimethyluracil→6-[(3-Chloropropyl)amino]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione→1-(2-Methoxyphenyl)piperazine→1-(2-Methoxyphenyl)piperazine hydrochloride→1-(3-Aminopropyl)-4-(2-methoxyphenyl)piperazine→Pyrocatechol monomethyl ether→2-methoxyphenyl methanesulfonate→Diethylenediamine

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.

Supplier	Product	Price band	MOQ	Lead time	Qualifications
Unibest Nantong cGMP Site	2-Fluoro-5-formylbenzonitrile Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Taizhou GMP-like Site	2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]benzonitrile Pharmaceutical Intermediates	On request	On request	On request	—
Qualified Partner — East China API Works	2-fluoro-5-((4-oxo-3,4-dihydrophthalazin -1-yl)Methyl)benzoic acid Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Nantong cGMP Site	1-(Cyclopropylcarbonyl)piperazine hydrochloride Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Taizhou GMP-like Site	3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid Pharmaceutical Intermediates	On request	On request	On request	—
Qualified Partner — East China API Works	5-broMo-2-chloro-N-cyclopentylpyriMidin-4-aMine Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Nantong cGMP Site	2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Taizhou GMP-like Site	6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one Pharmaceutical Intermediates	On request	On request	On request	—
Qualified Partner — East China API Works	tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Nantong cGMP Site	Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Taizhou GMP-like Site	tert-Butyl 4-(6-((6-(1-butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate Pharmaceutical Intermediates	On request	On request	On request	—
Qualified Partner — East China API Works	PD 0332991 HCl Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Nantong cGMP Site	2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Pharmaceutical Intermediates	On request	On request	On request	—
Unibest Taizhou GMP-like Site	2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6- carboxamide Pharmaceutical Intermediates	On request	On request	On request	—

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