4-tert-Butylbenzyl bromide

Base Information

• Chemical Name: 4-tert-Butylbenzyl bromide
• CAS No.: 18880-00-7
• Molecular Formula: C11H15Br
• Molecular Weight: 227.144
• Hs Code.: 29036990
• European Community (EC) Number: 242-643-1
• NSC Number: 186287
• UNII: 49N4J7MYP3
• DSSTox Substance ID: DTXSID00172251
• Nikkaji Number: J37.674D
• Wikidata: Q72502405
• Mol file: 18880-00-7.mol

Synonyms:4-tert-Butylbenzyl bromide;18880-00-7;1-(Bromomethyl)-4-(tert-butyl)benzene;4-tert-Butylbenzylbromide;p-tert-Butylbenzyl bromide;1-(Bromomethyl)-4-tert-butylbenzene;4-(tert-Butyl)benzylbromide;1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene;4-(tert-butyl)benzyl bromide;Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-;4-t-butylbenzylbromide;p-t-butylbenzyl bromide;1-Bromomethyl-4-tert-butylbenzene;EINECS 242-643-1;NSC-186287;1-(Bromomethyl)-4-Tert-ButYl-Benzene;MFCD00000180;NSC186287;4-t-butylbenzylbromid;p-t-butylbenzylbromide;4-t-butylbenzyl bromide;p-tert-butylbenzylbromide;4-tertbutylbenzyl bromide;p-t-butyl-benzyl bromide;4-t-butyl benzyl bromide;p-tert.butylbenzyl bromide;4-tert-butyl-benzylbromide;4-tert-butylbenzyl-bromide;p-(t-butyl)benzyl bromide;p-tert-butyl benzyl bromide;p-tert-butyl-benzyl bromide;4-tert-butyl benzyl bromide;4-tert-butyl-benzyl bromide;4-tert.-butylbenzyl bromide;SCHEMBL121893;4-(tert-butyl) benzyl bromide;4-(tert-Butyl)-benzyl bromide;49N4J7MYP3;a-Bromo-4-(tert-butyl)toluene;C(C)(C)(C)c1ccc(CBr)cc1;QZNQSIHCDAGZIA-UHFFFAOYSA-;DTXSID00172251;1-t-butyl-4-(bromomethyl)benzene;4-tert-Butylbenzyl bromide, 97%;1-bromomethyl-4-tert-butyl-benzene;Toluene, alpha-bromo-p-tert-butyl-;4-(1,1-dimethylethyl)benzylbromide;CK2006;GEO-00611;4-(1,1-dimethylethyl)-benzylbromide;4-(1,1-Dimethylethyl)benzyl bromide;AKOS000120823;AC-2402;AM85643;NSC 186287;1-(Bromomethyl)-4-tert-butylbenzene #;AS-15738;4-(1,1-dimethylethyl)phenylmethyl bromide;1-bromomethyl-4-(1,1-dimethylethyl)benzene;A4171;FT-0601035;EN300-20808;J-640261;Q-101903;Z104482926

Chemical Property of 4-tert-Butylbenzyl bromide

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.0115mmHg at 25°C
• Melting Point: 8-12 °C(lit.)
• Refractive Index: n20/D 1.545(lit.)
• Boiling Point: 270.2 °C at 760 mmHg
• Flash Point: 105.9 °C
• Density: 1.223 g/cm³
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 226.03571
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butylbenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CBr
• Uses: 4-tert-Butylbenzyl bromide, a hydrophobic reactant, was used to keep the loaded mesoporous material particles under continuous stirring.

Technology Process of 4-tert-Butylbenzyl bromide

There total 24 articles about 4-tert-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: 100.0%

4-tert-butyltoluene (98-51-1) → 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene (18880-00-7)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; hexane;

Reference yield: 99.0%

p-tert-butylbenzyl alcohol (877-65-6) → 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene (18880-00-7)

Guidance literature:

With bromine; triphenylphosphine; In dichloromethane; at -78 - 25 ℃; for 18h;

DOI:10.1021/ol400765a

Reference yield: 91.0%

4-tert-butyltoluene (98-51-1) → 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene (18880-00-7) + p-tert-butyl-α,α-dibromotoluene (75966-32-4)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 0.216667h; Solvent; Time; Temperature; Flow reactor; Irradiation;

DOI:10.1021/jo402409k

upstream raw materials:

tert-butylbenzene

4-tert-butyltoluene

formaldehyd

p-tert-butylbenzyl alcohol

Downstream raw materials:

4-tert-butylbenzyl cyanide

1-(4-tert-butylbenzyl)piperazine

4-tert-Butylbenzaldehyde

4-(1,1-dimethylethyl)benzoic acid

Refernces

• 1、 Van De Water, Leon G. A.,Kaza, Arati,Beattie, James K.,Masters, Anthony F.,Maschmeyer, Thomas. "Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O 2/acetic acid system: Insights into selectivity and mechanism". . p. 8037 - 8044. Retrieved 2007.
• 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.
• 3、 Rana, Sujoy,Biswas, Jyoti Prasad,Sen, Asmita,Clémancey, Martin,Blondin, Geneviève,Latour, Jean-Marc,Rajaraman, Gopalan,Maiti, Debabrata. "Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo". . p. 7843 - 7858. Retrieved 2018/10/31.