1-(Bromomethyl)-3,5-di-tert-butylbenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-3,5-di-tert-butylbenzene
• CAS No.: 62938-08-3
• Molecular Formula: C15H23Br
• Molecular Weight: 283.252
• Hs Code.: 2903999090
• European Community (EC) Number: 628-123-0
• DSSTox Substance ID: DTXSID30403404
• Nikkaji Number: J1.735.478G
• Mol file: 62938-08-3.mol

Synonyms:1-(Bromomethyl)-3,5-di-tert-butylbenzene;62938-08-3;3,5-Di-tert-butylbenzyl bromide;3,5-DI-T-BUTYLBENZYL BROMIDE;1-(bromomethyl)-3,5-ditert-butylbenzene;1-(Bromomethyl)-3,5-bis(1,1-dimethylethyl)benzene;3,5-Di-tert-butylbenzylbromide;1-Bromomethyl-3,5-di-tert-butylbenzene;3,5-di-t-butylbenzylbromide;SCHEMBL478280;DTXSID30403404;SNRYBGHMHAJTTM-UHFFFAOYSA-N;3,5-di-tert-butyl-benzyl bromide;3,5-di-tertiarybutylbenzyl bromide;CL8895;MFCD03701623;3,5-di-tert-butyl(bromomethyl)benzene;AKOS015998648;alpha-Bromo-3,5-di-tert-butyltoluene;AM83123;CS-W008249;DS-1836;3,5-Di-tert-butylbenzyl bromide, 97%;1-Bromomethyl-3,5-di-tert-butyl-benzene;3,5-bis(t-butyl)-1-(bromomethyl)benzene;D2653;FT-0739985;A868307

Chemical Property of 1-(Bromomethyl)-3,5-di-tert-butylbenzene

Chemical Property:

• Vapor Pressure: 0.00669mmHg at 25°C
• Melting Point: 30 °C
• Boiling Point: 279.7oC at 760 mmHg
• Flash Point: 34oC
• PSA: 0.00000
• Density: 1.122g/cm3
• LogP: 5.17650
• Storage Temp.: Refrigerator
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 282.09831
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

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

3,5-Di-tert-butylbenzyl Bromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1)CBr)C(C)(C)C
• Uses: Reactant involved in:Chemoselective trifluoromethylationAralkylation of 2-N-acetylguanineCoupling reactions with terminal alkynesSynthesis of near-IR solid-state fluorescent naphthooxazine dyesReactant involved in synthesis of biologically active molecules including:Steroid sulfatase inhibitorsShort cationic antimicrobial peptides

Technology Process of 1-(Bromomethyl)-3,5-di-tert-butylbenzene

There total 8 articles about 1-(Bromomethyl)-3,5-di-tert-butylbenzene 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: 97.0%

3, 5-di-tert-butyltoluene (15181-11-0) → 3,5-di-tert-butylbenzyl bromide (62938-08-3)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 1h; Reflux;

DOI:10.1039/c4cc07408d

Reference yield: 86.0%

3,5-bis(1,1-dimethylethyl)benzenemethanol (77387-57-6) → 3,5-di-tert-butylbenzyl bromide (62938-08-3)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2011.06.027

Reference yield:

3, 5-di-tert-butyltoluene (15181-11-0) → 3,5-di-tert-butylbenzyl bromide (62938-08-3) + 3,5-di-tert-butyl(dibromomethyl)benzene (153474-38-5)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 4h; Yield given. Yields of byproduct given; Heating;

DOI:10.1016/S0223-5234(98)80003-2

upstream raw materials:

3, 5-di-tert-butyltoluene

toluene

3,5-bis(1,1-dimethylethyl)benzenemethanol

3,5-di-tert-butylbenzoic acid

Downstream raw materials:

1,3-Di-t-butyl-5-neopentylbenzol

1,3-Di-t-butyl-5-fluormethylbenzol

4,8-Bis-(3,5-di-tert-butyl-benzyloxy)-benzo[1,2-d;4,5-d']bis[1,3]dithiole-2,6-dithione

2-[3,5-di-(tert-butyl)phenyl]acetonitrile

Refernces

• 1、 G?bel, Dominik,Clamor, Nils,Lork, Enno,Nachtsheim, Boris J.. "Aerobic C(sp2)-H Hydroxylations of 2-Aryloxazolines: Fast Access to Excited-State Intramolecular Proton Transfer (ESIPT)-Based Luminophores". supporting information. p. 5373 - 5377. Retrieved 2019/06/07.
• 2、 Furuyama, Taniyuki,Asai, Mitsuo,Kobayashi, Nagao. "Control of absorption properties of tetraazaporphyrin group 15 complexes by modification of their axial ligands". supporting information. p. 15101 - 15104. Retrieved 2015/02/19.