2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one

Product Name: 2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one
CAS No.: 184177-83-1
Chemical Name: 2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one
Synonyms: ChemicalBook;2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one;1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one;1-[(2S,3S)-2-(benzyloxy)pentan-3-yl]-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one;2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one;PSZ-2;BSKZ-2;Posaconazole B;4-Triazol-3-one;Posaconazole POB
CBNumber: CB11553210
Molecular Formula: C30H35N5O3
Formula Weight: 513.63
MOL File: 184177-83-1.mol

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2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one Property

Melting point:: 195-197oC
Boiling point:: 685.4±65.0 °C(Predicted)
Density: 1.22
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 12.18±0.30(Predicted)
form: Solid
color: White
InChIKey: QLRPRKJUMRQTOV-IADCTJSHSA-N
SMILES: N1=CN(C2=CC=C(N3CCN(C4=CC=C(O)C=C4)CC3)C=C2)C(=O)N1[C@@H](CC)[C@@H](OCC1=CC=CC=C1)C
CAS DataBase Reference: 184177-83-1(CAS DataBase Reference)

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: E925535
Product name: 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
Packaging: 1g
Price: $1040
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0068924
Product name: 2-[(1S,2S)-1-ETHYL-2-BENZYLOXYPROPYL]-2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE
Purity: 95.00%
Packaging: 10MG
Price: $1963.5
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0068924
Product name: 2-[(1S,2S)-1-ETHYL-2-BENZYLOXYPROPYL]-2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE
Purity: 95.00%
Packaging: 1MG
Price: $750.75
Updated: 2021/12/16

Matrix Scientific

Product number: 089902
Product name: 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
Purity: 95+%
Packaging: 5g
Price: $788
Updated: 2021/12/16

Ark Pharm

Product number: AK-89728
Product name: 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
Purity: 98+%
Packaging: 1g
Price: $43
Updated: 2021/12/16

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2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one Chemical Properties,Usage,Production

Chemical Properties

Grey Solid

Uses

Intermediate in the preparation of Posaconazole (P689600).

Synthesis

184177-81-9

170985-85-0

184177-83-1

Synthesis of 4-(4-(4-(4-(4-hydroxyphenyl)-1 -piperidinyl)phenyl)-2-[(1S,2S)-1 -ethyl-2-(benzyloxy)propyl]-2,4-dihydro-3H-1 ,2,. 4-triazol-3-one was carried out in the following general steps: the N'-((2S,3S)-2-(benzyloxy)pentan-3-yl)formylhydrazine compound of formula-17 obtained in Example 13 (45.5 g) was mixed with dioxane (500 ml), and 4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenylcarbamate compound (50 g) was added and heated to 90-100 °C. Triethylamine (26 g) was added to the reaction mixture at 90-100 °C and kept at this temperature with stirring for 24 hours. After completion of the reaction, the reaction mixture was cooled to 25-30 °C and dichloromethane was added. The reaction mixture was filtered through a hyflow bed and washed with dichloromethane. Water was added to the filtrate to separate the organic and aqueous layers, and the aqueous layer was extracted with dichloromethane. The organic layers were combined and washed sequentially with 2% sodium hydroxide solution, water, 5% hydrochloric acid solution, water, and 5% NaHCO3 solution. The solvent in the organic layer was distilled under reduced pressure to obtain the target product. Isopropanol (75 ml) was added to the resulting compound, cooled to 25-30°C and stirred for 6 hours. The solid was filtered, washed with isopropanol and dried to give 4-(4-(4-(4-hydroxyphenyl)-1-piperidinyl)phenyl)-2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-3H-1,2,4-triazol-3-one. Yield: 28 g; HPLC purity: 97.67%; impurity-A: 0.37%. b) Purification of compound of formula-20: The obtained compound of formula-20 (30 g) was dissolved in methanol (960 ml) and heated to 60-65°C to dissolve. The reaction mixture was cooled to 25-30°C and stirred at the same temperature for 30 min. The precipitated solid was filtered and dried to give pure compound of formula-20. Yield: 70%; HPLC purity: 99.15%; impurity-A: 0.09%.

References

[1] Patent: US2014/343285, 2014, A1. Location in patent: Paragraph 0340; 0341; 0342

2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one Preparation Products And Raw materials

Raw materials

Preparation Products

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2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one Suppliers

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Toronto Research Chemicals

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Hefei Lbao Physical & Chemical Science Co.,Ltd

Product: 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)- 184177-83-1
Price: US $0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: Customise
Release date: 2025-11-25

WUHAN FORTUNA CHEMICAL CO., LTD

Product: Posaconazole intermediate 184177-83-1
Price: US $0.00/Kg/Bag
Min. Order: 1KG
Purity: 98%-101%
Supply Ability: 100 KG
Release date: 2021-05-31

ShenZhen H&D Pharmaceutical Technology Co., LTD

Product: Posaconazole Impurity 71 184177-83-1
Price: US $0.00-0.00/mg
Min. Order: 10mg
Purity: 98%
Supply Ability: 500mg
Release date: 2024-06-28

184177-83-1, 2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-oneRelated Search:

Lercanidipine Butenafine hydrochloride Posaconazole (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester Trimethoxyphenylsilane 3-Chloropropyltrimethoxysilane 3-Aminopropyltriethoxysilane Ethyl pyruvate N,N-Diisopropylethylamine N-Aminoethylpiperazine Ethylparaben Ethanol Ethyl formate Ethyl acetate Ethyl acrylate ISOXADIFEN-ETHYL Posaconazole Impurity 44 1-(4-Methoxyphenyl)piperazine

Posaconazole Diastereoisomer Related Compound 6

2S)-1-ethyl-2-bezyloxypropyl]-2

4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1

4-Triazol-3-one

ChemicalBook

1-[(2S,3S)-2-(benzyloxy)pentan-3-yl]-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one

2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-oneChemicalBook

Posaconazole Diastereoisomer Related Compound 7

Posaconazole Impurity 87

Posacozole Diastereoisomer Related Compound 6

Posaconazole Process Related Impurity

2-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Posaconazole int2

Posaconazole Intermediate2

1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1H-1,2,4

Posa-O 1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

2-(2(S)-Benzyloxy-1(S)-ethyl-propyl)-4-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]triazol-3-one

4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one

Posazonazole intermediate POB

2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Posaconazole side chain

[S-(R*,R*)]-2-[1-Ethyl-2-(phenylMethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one,

2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]- 3H-1,2,4-triazol-3-one

2-((2S,3R)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one

1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1H-1,2,4-tr

2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-

2-((1S,2S)-1-ethyl-2-benzyloxyl-propyl-1-yl)-2,4-diH-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one

3H-1,2,4-Triazol-3-one, 2-[(1S,2S)-1-ethyl-2-(phenylMethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-

2-(2(S)-Bezyloxy-1(S)-ethyl-propyl)-4-{4-[4-(4-hydroxyphenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]triazol-3-one

Posaconazole inter-2 3H-1,2,4-Triazol-3-one,2-[(1S,2S)-1-ethyl-2-(phenylMethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-

2-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol

Posaconazole Hydroxy O-Benzyl Impurity

2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]

2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

2-((2S,3R)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one (Posaconazole intermediate)

BSKZ-2

POSACONAZOLE CAS 171228-49-2 INTERMEDIATES

2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperozinyl]phenyl]-3H-1,2,4-triazol-3-one

Posaconazole Impurity 92

Posaconazole POB

2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-...

US-DMF No.: 033194

Posaconazole synthetic intermediate

Posaconazole Intermediate 3

:2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-Chemicalbook(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-Triazol-3-one

Side chain of Posaconazole side chain of Posaconazole

Posaconazole B

Best price and High purity supply of Posaconazole Intermediate (cas 184177-83-1)

(S),(S)2-(2-benzyloxy-1-ethyl propyl)-4-{4-[4–(4 hydroxy-phenyl)-piperzine-1-yl]-phenyl}-2,4-dihydro-[1,2,4]triazole 3 one

Posaconazole Intermediate-B

2-benzyl-1-(((2R,4R)-2-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((2S,3S)-2-hydroxypentan-3-yl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)phenyl)piperazin-1-yl)phenoxy)methyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazol-2-ium chloride

2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one - (posaconazole intermediate)

Anticancer agent 265

PSZ-2

1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one (Posaconazole Impurity)