ChemicalBook > Product Catalog >Organic Chemistry >Hydrocarbons and derivatives >Acyclic hydrocarbons >(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane Structure
CAS No.
423165-07-5
Chemical Name:
(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
Synonyms
UK 408027;Maraviroc Intermediate 2;Maraviroc interMediate(Tropinone);(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-...;Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl] Maraviroc;3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane;exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane;3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]octane;(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane;(3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane
CBNumber:
CB31564885
Molecular Formula:
C13H22N4
Molecular Weight:
234.35
MOL File:
423165-07-5.mol
Modify Date:
2023/12/28 18:13:10

(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane Properties

Melting point 117 ºC
Boiling point 402.4±55.0 °C(Predicted)
Density 1.31
storage temp. Keep in dark place,Inert atmosphere,2-8°C
solubility Chloroform
pka 10.71±0.40(Predicted)
form Solid
color Off-White to Pale Yellow
InChI InChI=1/C13H22N4/c1-8(2)13-16-15-9(3)17(13)12-6-10-4-5-11(7-12)14-10/h8,10-12,14H,4-7H2,1-3H3/t10-,11+,12-
InChIKey CEIRCCADSFHOQD-ZSBIGDGJNA-N
SMILES C(C1=NN=C(C)N1[C@@H]1C[C@H]2CC[C@H](N2)C1)(C)C |&1:7,9,12,r|

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H332-H335
Precautionary statements  P261-P280-P305+P351+P338
HS Code  2933592000

(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane Chemical Properties,Uses,Production

Chemical Properties

Off-White to Pale Yellow Solid

Synthesis

 A solution of 8-benzyl-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]octane (2.0 g, 6.17 mmol) in methanol (30 mL) was treated with 10% palladium on carbon (0.25 g) under a hydrogen atmosphere (50 psi) at ambient temperature, overnight. The mixture was filtered through a pad of Celite and the filtrate was concentrated to give (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane. Yield: 1.36 g (94%).
(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane Preparation Products And Raw materials

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(3-Exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl] -8-Azabicyclo[3.2.1]octane Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl] Maraviroc UK 408027 (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 8-Azabicyclo[3,2,1]octane3-[3-methyl-5-(1-methlethyl)-4H-1,2,4-triazol-4-yl]-, (3-exo)- Maraviroc Intermediate 2 Maraviroc interMediate(Tropinone) (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane (3-exo)-3-[3-Methyl-5-(prop-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane, 4-[(3-exo)-8-Azabicyclo[3.2.1]oct-3-yl]-3-isopropyl-5-methyl-4H-1,2,4-triazole exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (1R,3s,5S)-rel-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 8-Azabicyclo[3.2.1]octane, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-, (3-exo)- (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-... 3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]octane 423165-07-5 Chiral Reagents Metabolites & Impurities