1-[2-Bromo-1-(1,1-dimethylethoxy)ethyl]-4-methoxybenzene

Base Information

• Chemical Name: 1-[2-Bromo-1-(1,1-dimethylethoxy)ethyl]-4-methoxybenzene
• CAS No.: 72912-33-5
• Molecular Formula: C13H19 Br O2
• Molecular Weight: 287.197
• Hs Code.: 2909309090
• European Community (EC) Number: 277-013-5
• DSSTox Substance ID: DTXSID50993695
• Nikkaji Number: J318.886H
• Mol file: 72912-33-5.mol

Synonyms:72912-33-5;1-[2-BROMO-1-(1,1-DIMETHYLETHOXY)ETHYL]-4-METHOXYBENZENE;EINECS 277-013-5;1-[2-bromo-1-[(2-methylpropan-2-yl)oxy]ethyl]-4-methoxybenzene;1-[2-BROMO-1-(TERT-BUTOXY)ETHYL]-4-METHOXYBENZENE;Benzene,1-[2-bromo-1-(1,1-dimethylethoxy)ethyl]-4-methoxy-;1-(2-Bromo-1-(1,1-dimethylethoxy)ethyl)-4-methoxybenzene;SCHEMBL10890623;DTXSID50993695;AKOS011393773;EN300-1133015;1-(2-Bromo-1-tert-butoxyethyl)-4-methoxybenzene

Chemical Property of 1-[2-Bromo-1-(1,1-dimethylethoxy)ethyl]-4-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.000553mmHg at 25°C
• Boiling Point: 321.6°C at 760 mmHg
• Flash Point: 122.8°C
• PSA: 18.46000
• Density: 1.234g/cm³
• LogP: 3.94630
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 286.05684
• Heavy Atom Count: 16
• Complexity: 193

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)OC(CBr)C1=CC=C(C=C1)OC

Technology Process of 1-[2-Bromo-1-(1,1-dimethylethoxy)ethyl]-4-methoxybenzene

There total 4 articles about 1-[2-Bromo-1-(1,1-dimethylethoxy)ethyl]-4-methoxybenzene 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: 95.0%

1-((4-methoxy)phenyl)-1,2-dibromoethane (19484-05-0) + tert-butyl alcohol (75-65-0) → 2-bromo-1-(tert-butoxy)-1-(4-methoxyphenyl)ethane (72912-33-5)

Guidance literature:

With magnesium oxide; magnesium sulfate; for 1.25h; Heating;

DOI:10.1021/jm00161a029

Reference yield: 86.0%

4-Methoxystyrene (637-69-4,24936-44-5) + tert-butyl alcohol (75-65-0) → 2-bromo-1-(tert-butoxy)-1-(4-methoxyphenyl)ethane (72912-33-5)

Guidance literature:

With N,N'-dibromo-N,N'-(1,2-ethanediyl)bis(p-toluenesulfonamide); ammonium acetate; at 20 ℃; for 0.3h;

DOI:10.5012/bkcs.2013.34.2.500

Reference yield:

4-Methoxystyrene (637-69-4,24936-44-5) → 2-bromo-1-(tert-butoxy)-1-(4-methoxyphenyl)ethane (72912-33-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 86.4 percent / Br₂ / CH₂Cl₂ / -5 - 0 °C

2: 95 percent / MgSO₄, MgO / 1.25 h / Heating

With bromine; magnesium oxide; magnesium sulfate; In dichloromethane;

DOI:10.1021/jm00161a029

upstream raw materials:

1-((4-methoxy)phenyl)-1,2-dibromoethane

tert-butyl alcohol

4-Methoxystyrene

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

9-Chloro-1-(4-hydroxy-phenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide

6-Chloro-1-(4-hydroxy-phenyl)-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide

6-Fluoro-1-(4-hydroxy-phenyl)-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide

SKF 87516 hydrobromide

Refernces

• 1、 Kazemi, Foad,Kakroudi, Mazaher Abdollahi. "BNBTS More than brominating agent: Green and one-pot route for the C-N bond formation in water from alkenes". . p. 500 - 504. Retrieved 2013/08/25.