Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-

Base Information

• Chemical Name: Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-
• CAS No.: 1333210-07-3
• Molecular Formula: C21H22ClN3O
• Molecular Weight: 367.87188
• Mol file: 1333210-07-3.mol

Synonyms:Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-;TRCP6 inhibitor;TRCP6-IN-1;4-(((1R,2R)-2-((R)-3-Aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl)oxy)-3-chlorobenzonitrile;SAR7334

Chemical Property of Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-

Chemical Property:

• Melting Point: 221.3 °C
• Boiling Point: 534.6±50.0 °C(Predicted)
• PKA: 10.95±0.20(Predicted)
• PSA: 62.28000
• Density: 1.30±0.1 g/cm3(Predicted)
• LogP: 4.31778
• Solubility.: insoluble in H2O; ≥106.4 mg/mL in EtOH; ≥125.4 mg/mL in DMSO

Purity/Quality:

99%, ^*data from raw suppliers

SAR7334 ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-

There total 4 articles about Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

tert-butyl {(3R)-1-[(1R,2R)-1-(2-chloro-4-cyanophenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-yl}carbamate (1333210-35-7) → 4-(((1R,2R)-2-((R)-3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl)oxy)-3-chlorobenzonitrile (1333210-07-3)

Guidance literature:

With hydrogenchloride; In diethyl ether; dichloromethane;

Reference yield:

1-indene (95-13-6) → 4-(((1R,2R)-2-((R)-3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl)oxy)-3-chlorobenzonitrile (1333210-07-3)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hypochlorite; 4-(3-phenylpropyl)pyridine-N-oxide / (-)-chloro((1R,2R)-4,4',6,6'-tetra-tert-butyl-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenolato)manganese(III) / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere

2: acetonitrile / Reflux

3: di-isopropyl azodicarboxylate / tetrahydrofuran / 20 °C

4: hydrogenchloride / dichloromethane; diethyl ether

With hydrogenchloride; sodium hypochlorite; di-isopropyl azodicarboxylate; 4-(3-phenylpropyl)pyridine-N-oxide; (-)-chloro((1R,2R)-4,4',6,6'-tetra-tert-butyl-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenolato)manganese(III); In tetrahydrofuran; diethyl ether; dichloromethane; acetonitrile; 3: Mitsunobu reaction;

Reference yield:

(1aR,6aS)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (768-22-9,67528-26-1,71214-81-8,85354-35-4) → 4-(((1R,2R)-2-((R)-3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl)oxy)-3-chlorobenzonitrile (1333210-07-3)

Guidance literature:

Multi-step reaction with 3 steps

1: acetonitrile / Reflux

2: di-isopropyl azodicarboxylate / tetrahydrofuran / 20 °C

3: hydrogenchloride / dichloromethane; diethyl ether

With hydrogenchloride; di-isopropyl azodicarboxylate; In tetrahydrofuran; diethyl ether; dichloromethane; acetonitrile; 2: Mitsunobu reaction;

upstream raw materials:

1-indene

(1aR,6aS)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

tert-butyl {(3R)-1-[(1R,2R)-1-(2-chloro-4-cyanophenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-yl}carbamate

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