184177-83-1

Basic information

• 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,
• Synonyms: 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-(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)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;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;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
• CAS NO: 184177-83-1
• Molecular Formula: C₃₀H₃₅N₅O₃
• Molecular Weight: 513.63
• EINECS: 1806241-263-5
• Product Categories: Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals;Posaconazole
• Mol File: 184177-83-1.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 685.351 °C at 760 mmHg
• Flash Point: 368.287 °C
• Appearance: Grey solid
• Density: 1.22
• Refractive Index: 1.632
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 12.18±0.30(Predicted)
• CAS DataBase Reference: 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 DataBase Reference)
• NIST Chemistry Reference: 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,(184177-83-1)
• EPA Substance Registry System: 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,(184177-83-1)

Safety Data

• Hazardous Substances Data: 184177-83-1(Hazardous Substances Data)

Usage

Chemical Properties

Grey Solid

Uses

Intermediate in the preparation of Posaconazole (P689600).

InChI:InChI=1/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29+/m1/s1

Upstream product

• 184177-81-9 PHENYL {4-[4-(4-HYDROXYPHENYL)PIPERAZIN-1-YL]PHENYL}CARBAMATE 
• 184177-78-4 Hydrazinecarboxylic acid, 2-(1-ethylpropyl)-, 1,1-dimethylethyl ester (9CI) 
• 184177-77-3 Hydrazinecarboxylic acid, (1-ethylpropylidene)-, 1,1-dimethylethyl ester (9CI) 
• 18417-51-1 methyl 4-chloro-4-deoxy-2-O-(methylsulfonyl)pentopyranoside 
• 184174-83-2 Butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 
• 184174-82-1 2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ISOPROPYL ESTER 
• 184174-81-0 METHYL 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE 
• 184174-80-9 2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER 
• 18417-40-8 diethyl 1,2,5-oxadiazole-3,4-dicarboxylate 2-oxide 
• 184173-41-9 1H-Pyrazole-4,5-diamine, 1-ethyl-N5,3-dimethyl- 
• 184173-24-8 1H-Pyrazole-4,5-diamine, 1-methyl-3-[(methylamino)methyl]- 
• 1841-73-2 4-{(E)-[(4-fluorophenyl)imino]methyl}-N,N-bis(2-iodoethyl)-3-methylaniline 
• 184173-02-2 (4,5-diamino-1-ethyl-1H-pyrazol-3-yl)methanol 
• 184172-97-2 1H-Pyrazole-4,5-diamine,3-methyl-1-(1-methylethyl)-(9CI) 

Downstream Products

• 184177-88-6 tert-butyl 2-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]hydrazinecarboxylate 
• 184177-88-6 tert-butyl 2-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]hydrazinecarboxylate 
• 184178-86-7 1-Oxaspiro[2.5]octane,7-methyl-4-(1-methylethyl)-,(3S,4S,7R)-(9CI) 
• 18417-89-5 SANGIVAMYCIN 
• 184178-98-1 Cyclohexanol,1,5-dimethyl-2-(1-methylethyl)-,(1S,2S,5R)-(9CI) 
• 184179-08-6 AC-DEVD-CHO 
• 184179-24-6 2,5-Furandione, telomer with ethenylbenzene and (1-methylethyl)benzene, cyclohexyl 1-methylethyl ester, ammonium salt 
• 18417-98-6 bis(2-chloroethyl)(methyl)phosphane oxide 
• 18417-99-7 (methylphosphanediyl)diethane-2,1-diyl dibenzoate 
• 18418-00-3 4-Amino-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid 
• 18418-08-1 2-HYDROXY-3-BUTYNOIC ACID ETHYL ESTER 
• 184181-05-3 Hexanedioic acid, polymer with (chloromethyl)oxirane, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 4,4-(1-methylethylidene)bisphenol and oxirane, 2-propenoate 
• 184181-27-9 1-(dimethylamino)-3-(2-ethylhexoxy)propan-2-ol 
• 18418-17-2 3-Butenoic acid, 3-chloro-2-hydroxy-, ethyl ester 

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