1-(1-Naphthyloxy)-3-(tert-butylamino)-2-propanol

Base Information

• Chemical Name: 1-(1-Naphthyloxy)-3-(tert-butylamino)-2-propanol
• CAS No.: 2116-22-5
• Molecular Formula: C17H23NO2
• Molecular Weight: 273.37000
• UNII: CJ2ZZ9N3A4
• DSSTox Substance ID: DTXSID501179986
• Nikkaji Number: J967.581G
• Mol file: 2116-22-5.mol

Synonyms:2116-22-5;CJ2ZZ9N3A4;(+/-)-2'-Methylpropranolol;UNII-CJ2ZZ9N3A4;1-(tert-Butylamino)-3-(naphthalen-1-yloxy)propan-2-ol;1-(1-Naphthyloxy)-3-(tert-butylamino)-2-propanol;2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(1-naphthalenyloxy)-;1-(tert-butylamino)-3-naphthalen-1-yloxypropan-2-ol;SCHEMBL11227323;NIFKETYTGRVRLT-UHFFFAOYSA-N;DTXSID501179986;AKOS017268158;1-(alpha-naphthoxy)-3-(tert.-butylamino)-2-propanol;1-[(1,1-Dimethylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol

Chemical Property of 1-(1-Naphthyloxy)-3-(tert-butylamino)-2-propanol

Chemical Property:

• Melting Point: 69 - 71°C
• PSA: 41.49000
• LogP: 3.35850
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 273.172878976
• Heavy Atom Count: 20
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

1-(tert-Butylamino)-3-(1-naphthyloxy)-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC2=CC=CC=C21)O
• Uses: 1-(tert-Butylamino)-3-(1-naphthyloxy)-2-propanol is a Propranolol analog. Nadolol(N201050) Impurity.

Technology Process of 1-(1-Naphthyloxy)-3-(tert-butylamino)-2-propanol

There total 11 articles about 1-(1-Naphthyloxy)-3-(tert-butylamino)-2-propanol 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: 89.0%

3-(1-naphthyloxy)-1,2-epoxypropane (2461-42-9) + tert-butylamine (75-64-9) → propanolol (2116-22-5)

Guidance literature:

With silica gel; for 0.416667h; Irradiation;

DOI:10.1080/00304949809355263

Reference yield: 35.0%

tert-butylamine (75-64-9) + 2,2-Dichloro-3-(naphthalen-1-yloxymethyl)-oxirane → propanolol (2116-22-5) + C24H20O2 + C24H20O2

Guidance literature:

In tetrahydrofuran;

DOI:10.1016/S0040-4039(97)00804-6

Reference yield: 28.0%

tert-butylamine (75-64-9) + 2-Chloro-2-fluoro-3-(naphthalen-1-yloxymethyl)-oxirane → propanolol (2116-22-5) + C24H20O2 + C24H20O2

Guidance literature:

In tetrahydrofuran;

DOI:10.1016/S0040-4039(97)00804-6

upstream raw materials:

α-naphthol

1-chloro-3-tert-butylamino-2-propanol

tert-butylamine

epichlorohydrin