5-Bromo-alpha-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol

Base Information

Chemical Name:5-Bromo-alpha-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol
CAS No.:85536-86-3
Molecular Formula:C16H22BrNO2
Molecular Weight:340.26
Hs Code.:
European Community (EC) Number:264-673-4,287-573-2
DSSTox Substance ID:DTXSID601006091
Nikkaji Number:J310.612H
Mol file:85536-86-3.mol

Synonyms:85536-86-3;EINECS 287-573-2;5-bromo-alpha-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol;EINECS 264-673-4;C16H22BrNO2;C16-H22-Br-N-O2;5-Bromo-alpha-((tert-butylamino)methyl)-7-ethylbenzofuran-2-methanol;(1)-5-Bromo-alpha-(((tert-butyl)amino)methyl)-7-ethyl-2-benzofuranmethanol;64100-60-3;DTXSID601006091;1-(5-Bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethan-1-ol;(+-)-5-bromo-alpha-[[(tert-butyl)amino]methyl]-7-ethyl-2-benzofuranmethanol;5-Bromo-alpha-[[(1,1-dimethylethyl)amino]methyl]-7-ethyl-2-benzofuranmethanol

Suppliers and Price of 5-Bromo-alpha-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol

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

Total 3 raw suppliers

Chemical Property of 5-Bromo-alpha-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol

Chemical Property:

Boiling Point:436.876oC at 760 mmHg
Flash Point:218.015oC
PSA：45.40000
Density:1.302g/cm3
LogP:4.57010
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:339.08339
Heavy Atom Count:20
Complexity:318

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C2C(=CC(=C1)Br)C=C(O2)C(CNC(C)(C)C)O

Technology Process of 5-Bromo-alpha-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol

There total 14 articles about 5-Bromo-alpha-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol 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:

: 18980-21-7
4-bromo-2-ethylphenol

: 85536-86-3
5-bromo-2-(2-tert-butylamino-1-hydroxyethyl)-7-ethylbenzofuran

Guidance literature:: Multi-step reaction with 5 steps

1: 61 percent / hexamethylenetetramine, glacial acetic acid, sulfuric acid / 18 h / 25 °C

2: 80 percent / potassium carbonate, N, N-dimethylformamide / 1.5 h / Heating

3: 49 percent / trifluoroacetic acid / 0.25 h / Heating

4: 1) sodium methylsulfinylmethide / 1) dimethyl sulfoxide, tetrahydrofuran, 0 deg C, 2 min, 2) tetrahydrofuran, 0 deg C, 30 min, then 24 deg C, 1 h

5: hexane; methanol / 14 h / Heating

With hexamethylenetetramine; sulfuric acid; dimsylsodium; potassium carbonate; acetic acid; N,N-dimethyl-formamide; trifluoroacetic acid; In methanol; hexane;
DOI:10.1002/jhet.5570280535

Reference yield:

: 57704-12-8
5-bromo-3-ethylsalicylaldehyde

: 85536-86-3
5-bromo-2-(2-tert-butylamino-1-hydroxyethyl)-7-ethylbenzofuran

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / potassium carbonate, N, N-dimethylformamide / 1.5 h / Heating

2: 49 percent / trifluoroacetic acid / 0.25 h / Heating

3: 1) sodium methylsulfinylmethide / 1) dimethyl sulfoxide, tetrahydrofuran, 0 deg C, 2 min, 2) tetrahydrofuran, 0 deg C, 30 min, then 24 deg C, 1 h

4: hexane; methanol / 14 h / Heating

With dimsylsodium; potassium carbonate; N,N-dimethyl-formamide; trifluoroacetic acid; In methanol; hexane;
DOI:10.1002/jhet.5570280535

Reference yield:

: 137206-66-7
2-allyl-4-bromo-6-ethylphenol

: 85536-86-3
5-bromo-2-(2-tert-butylamino-1-hydroxyethyl)-7-ethylbenzofuran

Guidance literature:: Multi-step reaction with 9 steps

1: 84 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 0 deg C to 22 deg C, 22 h

2: 75 percent / potassium hydroxide, water / dimethylsulfoxide / 3 h / 23 °C

3: 96 percent / triethylamine, 4-dimethylaminopyridine / CH₂Cl₂ / 8 h / 22 °C

4: 91 percent / N-bromosuccinimide, benzoylperoxide / CCl₄ / Heating; Irradiation

5: sodium cyanoborohydride, hexamethylphosphoramide / 10 h / 70 °C

6: 93 percent / potassium carbonate / methanol / 2 h / 22 °C

7: 81 percent / 2 M oxalyl chloride, dimethyl sulfoxide, triethylamine / CH₂Cl₂ / -60 °C

8: 1) sodium methylsulfinylmethide / 1) dimethyl sulfoxide, tetrahydrofuran, 0 deg C, 2 min, 2) tetrahydrofuran, 0 deg C, 30 min, then 24 deg C, 1 h

9: hexane; methanol / 14 h / Heating

With N,N,N,N,N,N-hexamethylphosphoric triamide; dmap; potassium hydroxide; N-Bromosuccinimide; Perbenzoic acid; oxalyl dichloride; dimsylsodium; water; sodium cyanoborohydride; potassium carbonate; dimethyl sulfoxide; triethylamine; 3-chloro-benzenecarboperoxoic acid; In methanol; tetrachloromethane; hexane; dichloromethane; dimethyl sulfoxide;
DOI:10.1002/jhet.5570280535