4-Butylbenzyl Bromide

Base Information

• Chemical Name: 4-Butylbenzyl Bromide
• CAS No.: 10531-16-5
• Molecular Formula: C11H15 Br
• Molecular Weight: 227.144
• Hs Code.: 2903999090
• European Community (EC) Number: 678-224-9
• DSSTox Substance ID: DTXSID60478625
• Nikkaji Number: J1.830.855J
• Wikidata: Q82312113
• Mol file: 10531-16-5.mol

Synonyms:4-Butylbenzyl Bromide;10531-16-5;1-(Bromomethyl)-4-butylbenzene;4-Butylbenzylbromide;4-n-butylbenzyl bromide;1-bromomethyl-4-butylbenzene;1-Bromomethyl-4-butyl-benzene;SCHEMBL4773858;DTXSID60478625;XNQBGVFFKGZXJH-UHFFFAOYSA-N;MFCD09038507;AKOS013153980;GS-5527;B3005;H10199

Chemical Property of 4-Butylbenzyl Bromide

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 144 °C / 17mmHg
• Flash Point: 116.437°C
• PSA: 0.00000
• Density: 1.22
• LogP: 3.92410
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 226.03571
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Butylbenzyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)CBr

Technology Process of 4-Butylbenzyl Bromide

There total 6 articles about 4-Butylbenzyl Bromide 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: 70.0%

p-butylbenzyl alcohol (60834-63-1) → p-butylbenzylbromide (10531-16-5)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/ol0713990

Reference yield: 42.0%

1,4-bis(bromomethyl)benzene (623-24-5) + n-propylmagnesium bromide (927-77-5) → p-butylbenzylbromide (10531-16-5)

Guidance literature:

With copper(I) bromide dimethylsulfide complex; In diethyl ether; at 0 ℃; for 6h;

DOI:10.1016/S0040-4039(01)02024-X

Reference yield:

4-butylbenzoyl chloride (28788-62-7) → p-butylbenzylbromide (10531-16-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / NaBH₄ / tetrahydrofuran / 2 h / 0 °C

2: 70 percent / BBr₃ / CH₂Cl₂ / 0.5 h / 0 °C

With sodium tetrahydroborate; boron tribromide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/ol0713990

upstream raw materials:

formaldehyd

1-butylbenzene

p-butylbenzyl alcohol

1,4-bis(bromomethyl)benzene

Downstream raw materials:

1-[2-(4-butyl-benzyloxy)-ethyl]-4-[2-(4-chloro-benzhydryloxy)-ethyl]-piperazine

(4-n-butylphenyl)acetonitrile

Refernces

• 1、 Sundaresan, Arun Kumar,Ramamurthy. "Making a difference on excited-state chemistry by controlling free space within a nanocapsule: Photochemistry of 1-(4-alkylphenyl)-3-phenylpropan-2-ones". . p. 3575 - 3578. Retrieved 2008/02/12.
• 2、 Kelley,Linn,Selway. "Synthesis and antirhinovirus activity of 6-(dimethylamino)-2-(trifluoromethyl)-9-(substituted benzyl)-9H-purines". . p. 1757 - 1763. Retrieved 2007/10/02.