1,3-Dimethyl-5-(3-nitrophenyl)benzene

Base Information

Chemical Name:1,3-Dimethyl-5-(3-nitrophenyl)benzene
CAS No.:337973-04-3
Molecular Formula:C14H13NO2
Molecular Weight:227.263
Hs Code.:2904209090
DSSTox Substance ID:DTXSID70477765
Nikkaji Number:J2.811.176B
Wikidata:Q82310665
Mol file:337973-04-3.mol

Synonyms:1,3-Dimethyl-5-(3-nitrophenyl)benzene;337973-04-3;DTXSID70477765;MFCD21609588;AKOS025295176;BS-28423

Suppliers and Price of 1,3-Dimethyl-5-(3-nitrophenyl)benzene

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

TRC
1,3-Dimethyl-5-(3-nitrophenyl)benzene
100mg
$ 110.00

Crysdot
1,3-Dimethyl-5-(3-nitrophenyl)benzene 95+%
5g
$ 904.00

AK Scientific
1,3-Dimethyl-5-(3-nitrophenyl)benzene
1g
$ 371.00

Total 1 raw suppliers

Chemical Property of 1,3-Dimethyl-5-(3-nitrophenyl)benzene

Chemical Property:

PSA：45.82000
LogP:4.40180
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:227.094628657
Heavy Atom Count:17
Complexity:264

Purity/Quality:: 1,3-Dimethyl-5-(3-nitrophenyl)benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C

Technology Process of 1,3-Dimethyl-5-(3-nitrophenyl)benzene

There total 4 articles about 1,3-Dimethyl-5-(3-nitrophenyl)benzene 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: 94.0%

: 22445-41-6
3,5-dimethylphenyl iodide

: 13331-27-6
m-nitrobenzene boronic acid

: 337973-04-3
3,5-dimethyl-3'-nitro-1,1'-biphenyl

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; toluene; for 3h; Heating;
DOI:10.1021/ja034563x

Reference yield: 69.0%

: 18312-48-6
potassium m-nitrobenzoate

: 219667-41-1
trifluoromethanesulfonic acid 3,5-dimethylphenyl ester

: 337973-04-3
3,5-dimethyl-3'-nitro-1,1'-biphenyl

Guidance literature:: With tol-BINAP; copper(I) oxide; 1,10-Phenanthroline; palladium(II) bromide; In 1-methyl-pyrrolidin-2-one; at 50 - 190 ℃; Microwave irradiation; Inert atmosphere;
DOI:10.1002/chem.200900892

Reference yield: 52.0%

: 95127-25-6
3,5-dimethylphenyl 4-methylbenzenesulfonate

: 18312-48-6
potassium m-nitrobenzoate

: 337973-04-3
3,5-dimethyl-3'-nitro-1,1'-biphenyl

Guidance literature:: With copper(I) oxide; palladium(II) acetylacetonate; 1,10-Phenanthroline; XPhos; In 1-methyl-pyrrolidin-2-one; at 50 - 190 ℃; for 0.166667h; Inert atmosphere; Microwave irradiation;
DOI:10.1002/anie.200905953