4-Benzyloxybromobenzene

Base Information

• Chemical Name: 4-Benzyloxybromobenzene
• CAS No.: 6793-92-6
• Molecular Formula: C13H11BrO
• Molecular Weight: 263.134
• Hs Code.: 29093090
• European Community (EC) Number: 614-179-3
• DSSTox Substance ID: DTXSID40218142
• Nikkaji Number: J397.267D
• Wikidata: Q72441807
• Mol file: 6793-92-6.mol

Synonyms:4-Benzyloxybromobenzene;6793-92-6;1-(Benzyloxy)-4-bromobenzene;1-Benzyloxy-4-bromobenzene;1-bromo-4-benzyloxybenzene;1-bromo-4-(phenylmethoxy)benzene;4-benzyloxy-1-bromobenzene;1-bromo-4-phenylmethoxybenzene;4-(benzyloxy)bromobenzene;1-benzyloxy-4-bromo-benzene;1-Bromo-4-[(phenylmethyl)oxy]benzene;Benzene, 1-bromo-4-(phenylmethoxy)-;MFCD00028016;Benzyl 4-Bromophenyl Ether;Benzyl4-(Bromophenyl)-ether-d4;Benzyl p-bromophenyl ether;4benzyloxybromobenzene;o-benzyl-4-bromophenol;4-benzoxy-bromo-benzene;4-benzyloxy bromobenzene;4-benzyloxy-bromobenzene;benzyloxy-4-bromobenzene;p-(benzyloxy)bromobenzene;UPCMLD00WJLM28;4-bromophenyl benzyl ether;4-Bromophenol benzyl ether;4-bromo-1-benzyloxybenzene;1-Benzyloxy-4-bromobzenzene;Benzyl 4-bromo phenyl ether;1-bromo-4-benzyloxy-benzene;SCHEMBL228292;4-(benzyloxy)-1-bromobenzene;4-Benzyloxybromobenzene, 96%;1-bromo-4-(benzyloxy)-benzene;4-bromophenyl phenylmethyl ether;DTXSID40218142;1-(Benzyloxy)-4-bromobenzene #;1-bromo-4-(phenylmethoxy)-benzene;AC8120;AKOS000201866;CS-W001227;PS-7350;AC-23475;SY013129;A9078;AM20060922;B2127;FT-0601903;EN300-185798;AE-848/01483047;J-504438;4-Benzyloxybromobenzene Low Moisture <=300ppm water

Chemical Property of 4-Benzyloxybromobenzene

Chemical Property:

• Appearance/Colour: White solid
• Melting Point: 60-63 °C(lit.)
• Refractive Index: 1.5130 (estimate)
• Boiling Point: 340.6 °C at 760 mmHg
• Flash Point: 140 °C
• PSA: 9.23000
• Density: 1.382 g/cm³
• LogP: 4.02810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 261.99933
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

4-Benzyloxy-1-bromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)Br
• Uses: 1-Benzyloxy-4-Bromobenzene is used in preparation of arylalkenylpropargylamine derivatives as MAO-B inhibitors exhibiting neuroprotective action for treatment of neurodegenerative diseases.

Technology Process of 4-Benzyloxybromobenzene

There total 31 articles about 4-Benzyloxybromobenzene 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-bromo-phenol (106-41-2) + benzyl bromide (100-39-0) → p-benzyloxyphenylbromide (6793-92-6)

Guidance literature:

With potassium carbonate; In acetonitrile; for 6h;

Reference yield: 99.0%

4-bromo-phenol (106-41-2) + benzyl chloride (100-44-7) → p-benzyloxyphenylbromide (6793-92-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1021/jm501119j

Reference yield: 99.0%

(benzyloxy)benzene (946-80-5) → p-benzyloxyphenylbromide (6793-92-6)

Guidance literature:

With N-Bromosuccinimide; (Z)-N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethyliminio)pyridine-1(4H)-carbimidothioate; In dichloromethane; at 25 ℃; for 36h; regioselective reaction; Darkness;

DOI:10.1021/acs.orglett.7b01899

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

(benzyloxy)benzene

dibenzoyl peroxide

Downstream raw materials:

1-(4'-benzyloxyphenyl)-1,2,2-triphenylethanol

7α-(4-benzyloxyphenyl)androst-5-ene-7β,17β-diol-3β-yl acetate

7β-(4-benzyloxyphenyl)androst-5-ene-3β,7α,17β-triol

7α-(4-benzyloxyphenyl)androst-5-ene-3β,7β,17β-triol

Refernces

• 1、 Dyk, Konrad,Baran, ?ukasz,R?ysko, Wojciech,Stankevi?, Marek,Kamiński, Daniel M.. "Interplay between the crystal stability and the energy of the molecular conformation". . p. 2683 - 2694. Retrieved 2021/04/19.
• 2、 Liu, Long,Tang, Yuanyuan,Wang, Kunyu,Huang, Tianzeng,Chen, Tieqiao. "Transition-Metal-Free and Base-Promoted Carbon-Heteroatom Bond Formation via C-N Cleavage of Benzyl Ammonium Salts". . p. 4159 - 4170. Retrieved 2021/03/09.