3-(tert-Butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol

Base Information

Chemical Name:3-(tert-Butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol
CAS No.:85128-18-3
Molecular Formula:C₂₀H₂₈ClN₃O₂
Molecular Weight:377.914
Hs Code.:
DSSTox Substance ID:DTXSID101005543
ChEMBL ID:CHEMBL275812

Synonyms:BRN 5613849;3-(tert-Butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol;2-Propanol, 3-(tert-butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-;85128-18-3;C20H28ClN3O2;CHEMBL275812;DTXSID101005543;C20-H28-Cl-N3-O2;LS-121819;1-(tert-Butylamino)-3-{6-chloro-2-[1-(1H-imidazol-1-yl)ethenyl]-3,4-dimethylphenoxy}propan-2-ol

Suppliers and Price of 3-(tert-Butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol

Supply Marketing:

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

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Chemical Property of 3-(tert-Butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol

Chemical Property:

Vapor Pressure:1.37E-13mmHg at 25°C
Boiling Point:564.7°Cat760mmHg
Flash Point:295.3°C
Density:1.14g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:377.1870048
Heavy Atom Count:26
Complexity:469

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1C)C(=C)N2C=CN=C2)OCC(CNC(C)(C)C)O)Cl

Technology Process of 3-(tert-Butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol

There total 2 articles about 3-(tert-Butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-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: 54.0%

: 1-[1-(3-Chloro-5,6-dimethyl-2-oxiranylmethoxy-phenyl)-vinyl]-1H-imidazole

: 75-64-9
tert-butylamine

: 85128-18-3
1-tert-Butylamino-3-[6-chloro-2-(1-imidazol-1-yl-vinyl)-3,4-dimethyl-phenoxy]-propan-2-ol

Guidance literature:: at 50 ℃; for 19h;
DOI:10.1021/jm00375a010

Reference yield:

: 85128-44-5
6-Chloro-2-(1-imidazol-1-yl-vinyl)-3,4-dimethyl-phenol

: 85128-18-3
1-tert-Butylamino-3-[6-chloro-2-(1-imidazol-1-yl-vinyl)-3,4-dimethyl-phenoxy]-propan-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, RT, 5 min, 2.) DMF, 40 deg C, 1 h

2: 54 percent / 19 h / 50 °C

With sodium hydride;
DOI:10.1021/jm00375a010