3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl

Base Information

Chemical Name:3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl
CAS No.:70634-28-5
Molecular Formula:C16H17 N O2
Molecular Weight:255.316
Hs Code.:
DSSTox Substance ID:DTXSID80990854
Nikkaji Number:J1.311.615F
Wikidata:Q82980494
Mol file:70634-28-5.mol

Synonyms:CCRIS 8747;70634-28-5;3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl;3-TERT-BUTYL-4-NITROBIPHENYL;1,1'-Biphenyl, 3-(1,1-dimethylethyl)-4-nitro-;DTXSID80990854;3-tert-Butyl-4-nitro-1,1'-biphenyl;LS-44331

Suppliers and Price of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-TERT-BUTYL-4-NITROBIPHENYL 95.00%
5MG
$ 501.94

Total 3 raw suppliers

Chemical Property of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl

Chemical Property:

Vapor Pressure:9.98E-06mmHg at 25°C
Melting Point:82-83 °C(Solv: methanol (67-56-1))
Boiling Point:383°C at 760 mmHg
Flash Point:168.6°C
PSA：45.82000
Density:1.094g/cm³
LogP:5.08250
XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:255.125928785
Heavy Atom Count:19
Complexity:310

Purity/Quality:

99% ^*data from raw suppliers

3-TERT-BUTYL-4-NITROBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=C(C=CC(=C1)C2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl

There total 5 articles about 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl 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: 85.0%

: 923547-56-2
4-bromo-2-(tert-butyl)nitrobenzene

: 98-80-6
phenylboronic acid

: 70634-28-5
3-(tert-butyl)-4-nitrobiphenyl

Guidance literature:: With tetrabutyl-ammonium chloride; diisopropylamine; In water; acetonitrile; at 85 ℃; for 3h; Inert atmosphere;
DOI:10.1016/j.tetlet.2010.04.029

Reference yield:

: 6310-21-0
2-(1,1-dimethylethyl)-benzenamine

: 70634-28-5
3-(tert-butyl)-4-nitrobiphenyl

Guidance literature:: Multi-step reaction with 3 steps

3: 81 percent / Ba(OH)2*8H₂O / Pd(PPh)3 / 1,2-dimethoxy-ethane; H₂O / Heating

With barium dihydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; 1: Bromination / 2: Oxidation / 3: Substitution;
DOI:10.1016/S1383-5718(00)00012-7

Reference yield:

: 850012-44-1
4-bromo-(2-tert-butyl)aniline

: 70634-28-5
3-(tert-butyl)-4-nitrobiphenyl

Guidance literature:: Multi-step reaction with 2 steps

2: 81 percent / Ba(OH)2*8H₂O / Pd(PPh)3 / 1,2-dimethoxy-ethane; H₂O / Heating

With barium dihydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; 1: Oxidation / 2: Substitution;
DOI:10.1016/S1383-5718(00)00012-7