2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile

Base Information

Chemical Name:2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile
CAS No.:54239-39-3
Molecular Formula:C13H19N3O
Molecular Weight:233.313
Hs Code.:2926909090
European Community (EC) Number:632-648-0
DSSTox Substance ID:DTXSID30388626
Mol file:54239-39-3.mol

Synonyms:cimbuterol

Suppliers and Price of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Cimbuterol
25mg
$ 230.00

Sigma-Aldrich
Cimbuterol VETRANAL?, analytical standard
10mg
$ 196.00

Total 12 raw suppliers

Chemical Property of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile

Chemical Property:

Melting Point:189-191°C
Boiling Point:438.7±45.0 °C(Predicted)
PKA:13.77±0.20(Predicted)
PSA：82.07000
Density:1.12±0.1 g/cm3(Predicted)
LogP:2.53408
Storage Temp.:-20°C Freezer
Solubility.:Dichloromethane (Slightly, Heated), Methanol (Slightly, Heated, Sonicated)
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:233.152812238
Heavy Atom Count:17
Complexity:289

Purity/Quality:

99% ^*data from raw suppliers

Cimbuterol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)NCC(C1=CC(=C(C=C1)N)C#N)O

Technology Process of 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile

There total 13 articles about 2-Amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzonitrile 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: 30.0%

: 75-64-9
tert-butylamine

: 88167-50-4
3-cyano-4-aminophenyl bromomethyl ketone

: 54239-39-3
5-[2-(tert-butylamino)-1-hydroxyethyl]anthranilonitrile

Guidance literature:: tert-butylamine; 3-cyano-4-aminophenyl bromomethyl ketone; In tetrahydrofuran; ethanol; at 0 - 20 ℃; for 4h; Inert atmosphere;

With potassium borohydride; In tetrahydrofuran; ethanol; for 2h; Cooling with ice;

With methanol; In tetrahydrofuran; ethanol; at 20 ℃; for 16h;

Reference yield:

: 56759-32-1
1-(4-amino-3-bromophenyl)-ethanone

: 54239-39-3
5-[2-(tert-butylamino)-1-hydroxyethyl]anthranilonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 58 percent / FeCl₃ / dimethylformamide / Heating

2: 74 percent / CuBr₂ / tetrahydrofuran / Heating

3: ethanol

4: NaBH₄

With sodium tetrahydroborate; iron(III) chloride; copper(ll) bromide; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;