2-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride

Base Information

• Chemical Name: 2-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride
• CAS No.: 29876-08-2
• Molecular Formula: C14H20 N2 O2 . Cl H
• Molecular Weight: 284.786
• European Community (EC) Number: 245-427-5
• Mol file: 29876-08-2.mol

Synonyms:Betrilol;2-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride;EINECS 245-427-5;1-t-Butylamino-3-(2-nitrilophenoxy)-2-propanol hydrochloride;o-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride;tert-butyl-[3-(2-cyanophenoxy)-2-hydroxypropyl]azanium;chloride;o-(2-Hydroxy-3-(tert-butylamino)propoxy)benzonitrile hydrochloride;Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride;BENZONITRILE, o-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)-, MONOHYDROCHLORIDE;C14H20N2O2.HCl;LS-38650

Chemical Property of 2-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 284.1291556
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)[NH2+]CC(COC1=CC=CC=C1C#N)O.[Cl-]

Technology Process of 2-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride

There total 2 articles about 2-(3-tert-Butylamino-2-hydroxypropoxy)benzonitrile hydrochloride 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:

→ bunitrolol hydrochloride (29876-08-2,23093-74-5)

Guidance literature:

Reference yield:

→ 1-(2-aminomethylphenoxy)-2-hydroxy-3-tert.-butylamino propane.HCL + bunitrolol hydrochloride (29876-08-2,23093-74-5)

Guidance literature:

Reference yield:

bunitrolol hydrochloride (29876-08-2,23093-74-5) → (S)-1-(2-cyanophenoxy)-2-hydroxy-3-tert-butylamino-propane (46905-83-3,83073-79-4,59995-59-4) + (R)-1-(2-cyanophenoxy)-2-hydroxy-3-tert-butylamino-propane (46905-83-3,83073-79-4,59995-59-4)

Guidance literature:

With diethylamine; In acetonitrile; Reagent/catalyst; Resolution of racemate;

DOI:10.1002/chir.22417

Downstream raw materials:

2-{3-Hydroxyimino-2-[(Z)-hydroxyimino]-propoxy}-benzonitrile

2-{3-Hydroxyimino-2-[(E)-hydroxyimino]-propoxy}-benzonitrile

2-{3-tert-Butylamino-2-[(E)-hydroxyimino]-propoxy}-benzonitrile

2-{3-tert-Butylamino-2-[(Z)-hydroxyimino]-propoxy}-benzonitrile

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