4-(4-Bromobenzyl)morpholine

Base Information

• Chemical Name: 4-(4-Bromobenzyl)morpholine
• CAS No.: 132833-51-3
• Molecular Formula: C11H14BrNO
• Molecular Weight: 256.142
• Hs Code.: 2934999090
• European Community (EC) Number: 808-403-0
• DSSTox Substance ID: DTXSID40354817
• Nikkaji Number: J402.557A
• Wikidata: Q82133260
• Mol file: 132833-51-3.mol

Synonyms:4-(4-bromobenzyl)morpholine;132833-51-3;4-[(4-bromophenyl)methyl]morpholine;MFCD00979535;MORPHOLINE, 4-[(4-BROMOPHENYL)METHYL]-;n-(4-bromobenzyl)morpholine;SCHEMBL578548;4-(4-Bromobenzyl)-morpholine;4-(4-Bromo-benzyl)-morpholine;DTXSID40354817;KWJZFQQTDGVBOX-UHFFFAOYSA-N;4-(4-Bromophenylmethyl)morpholine;BCP17906;CS-M1289;STK401219;AKOS000320665;AB07888;PS-4947;(1-methylbutyl)triphenylphosphoniumbromide;4-(4-Bromobenzyl)morpholine, AldrichCPR;AM803155;SY122933;(4-(4- Morpholinylmethyl)phenyl) bromide;FT-0760333;EN300-73733;AB00085318-01;A806503;SR-01000209137;SR-01000209137-1;Z54747693

Chemical Property of 4-(4-Bromobenzyl)morpholine

Chemical Property:

• Vapor Pressure: 0.000505mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 313.2 °C at 760mmHg
• Flash Point: 143.2 °C
• PSA: 12.47000
• Density: 1.399 g/cm³
• LogP: 2.21920
• Storage Temp.: Room temperature.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 255.02588
• Heavy Atom Count: 14
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Bromobenzyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CC2=CC=C(C=C2)Br

Technology Process of 4-(4-Bromobenzyl)morpholine

There total 11 articles about 4-(4-Bromobenzyl)morpholine 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: 100.0%

→ 4-[(4-bromophenyl)methyl]morpholine (132833-51-3)

Guidance literature:

Reference yield: 98.0%

morpholine (110-91-8,99108-56-2) + 1-bromomethyl-4-bromobenzene (589-15-1) → 4-[(4-bromophenyl)methyl]morpholine (132833-51-3)

Guidance literature:

In acetonitrile; for 4h; Reflux;

DOI:10.1016/j.carres.2012.06.006

Reference yield: 97.0%

(4-bromophenyl)-1-morpholinoacetonitrile (75382-07-9) → 4-[(4-bromophenyl)methyl]morpholine (132833-51-3)

Guidance literature:

With borane-THF; In tetrahydrofuran; for 40h; Ambient temperature;

DOI:10.1021/jo00008a062

upstream raw materials:

(4-bromophenyl)-1-morpholinoacetonitrile

morpholine

4-bromo-benzaldehyde

4-bromobenzyliodide

Downstream raw materials:

4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine

C₂₁H₂₂N₂O

4-[4-(morpholine-4-ylmethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester

4-(morpholin-4-yl)methylphenol

Refernces

• 1、 Lutz, Marius D.R.,Gasser, Valentina C.M.,Morandi, Bill. "Shuttle arylation by Rh(I) catalyzed reversible carbon–carbon bond activation of unstrained alcohols". supporting information. p. 1108 - 1119. Retrieved 2021/04/19.
• 2、 Houle, Camille,Savoie, Paul R.,Davies, Clotilde,Jardel, Damien,Champagne, Pier Alexandre,Bibal, Brigitte,Paquin, Jean-Fran?ois. "Thiourea-Catalyzed C?F Bond Activation: Amination of Benzylic Fluorides". supporting information. p. 10620 - 10625. Retrieved 2020/07/24.