3-(4-bromophenoxy)-N,N-dimethylpropan-1-amine

Base Information

• Chemical Name: 3-(4-bromophenoxy)-N,N-dimethylpropan-1-amine
• CAS No.: 76579-64-1
• Molecular Formula: C11H16BrNO
• Molecular Weight: 258.158
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID00366875
• Nikkaji Number: J1.129.951B
• Wikidata: Q82152329
• Mol file: 76579-64-1.mol

Synonyms:76579-64-1;3-(4-bromophenoxy)-N,N-dimethylpropan-1-amine;3-(4-bromophenoxy)-N,N-dimethylpropylamine;[3-(4-bromophenoxy)propyl]dimethylamine;1-Propanamine,3-(4-bromophenoxy)-N,N-dimethyl-;SCHEMBL6784753;DTXSID00366875;CAPNMXRLKVMOOB-UHFFFAOYSA-N;BDA57964;MFCD03718813;AKOS002774477;AM87189;MS-22249;4-(N,N-Dimethylaminopropyloxy)phenyl Bromide;CS-0314561;FT-0731190;N11519;N,N-Dimethyl-3-(4-bromophenoxy)-1-propanamine

Chemical Property of 3-(4-bromophenoxy)-N,N-dimethylpropan-1-amine

Chemical Property:

• Vapor Pressure: 0.000804mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 305.8 °C at 760 mmHg
• Flash Point: 138.7 °C
• PSA: 12.47000
• Density: 1.272 g/cm³
• LogP: 2.77960
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 257.04153
• Heavy Atom Count: 14
• Complexity: 144

Purity/Quality:

99.90% ^*data from raw suppliers

3-(4-Bromophenoxy)-N,N-dimethylpropylamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCOC1=CC=C(C=C1)Br

Technology Process of 3-(4-bromophenoxy)-N,N-dimethylpropan-1-amine

There total 4 articles about 3-(4-bromophenoxy)-N,N-dimethylpropan-1-amine 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: 91.0%

1-bromo-4-(3'-bromopropoxy)benzene (7497-87-2) + dimethyl amine (124-40-3) → 3-(4-bromophenoxy)-N,N-dimethyl-propan-1-amine (76579-64-1)

Guidance literature:

With TEA; silver(I) 4-methylbenzenesulfonate; In dichloromethane;

DOI:10.1016/S0040-4039(99)00863-1

Reference yield: 56.3%

4-bromo-phenol (106-41-2) + 3-Dimethylamino-1-propanol (3179-63-3) → 3-(4-bromophenoxy)-N,N-dimethyl-propan-1-amine (76579-64-1)

Guidance literature:

With di-tert-butyl-diazodicarboxylate; triphenylphosphine; In dichloromethane; at 0 - 30 ℃; for 3h; Inert atmosphere;

Reference yield: 40.8%

4-bromo-phenol (106-41-2) + 3-(dimethylamino)propyl chloride hydrochloride (5407-04-5) → 3-(4-bromophenoxy)-N,N-dimethyl-propan-1-amine (76579-64-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 4h; Inert atmosphere; Microwave irradiation;

DOI:10.1016/j.dyepig.2014.08.007

upstream raw materials:

1-bromo-4-(3'-bromopropoxy)benzene

dimethyl amine

4-bromo-phenol

3-(dimethylamino)propyl chloride hydrochloride

Downstream raw materials:

N,N-dimethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propan-1-amine

dimethyl-[3-(4-trimethylsilanyl-phenoxy)-propyl]-amine

[3-(4-Bromo-phenoxy)-propyl]-(4-chloro-benzyl)-dimethyl-ammonium; chloride

Refernces

• 1、 Song, Ho Jun,Lee, Eui Jin,Kim, Doo Hun,Lee, Tae Ho,Goh, Munju,Lee, Sangkug,Moon, Doo Kyung. "Solution-processed interlayer of discotic-based small molecules for organic photovoltaic devices: Enhancement of both the open-circuit voltage and the fill factor". . p. 210 - 218. Retrieved 2014/11/12.
• 2、 Noronha, Glenn,Nguyen, Khanhlinh T.. "Preparation of a new class of cleavable surfactants based on the silicon-carbon bond". . p. 4935 - 4938. Retrieved 2007/10/03.