1-(3-Methylphenyl)butan-1-one

Base Information

Chemical Name:1-(3-Methylphenyl)butan-1-one
CAS No.:21550-12-9
Molecular Formula:C11H14 O
Molecular Weight:162.232
Hs Code.:2914399090
European Community (EC) Number:653-826-4
DSSTox Substance ID:DTXSID80401753
Nikkaji Number:J307.746B
Wikidata:Q82204984
Mol file:21550-12-9.mol

Synonyms:21550-12-9;1-(3-methylphenyl)butan-1-one;3'-METHYLBUTYROPHENONE;3'-Methyl-Butyrophenone;m-METHYL BUTYROPHENONE;1-Butanone, 1-(3-methylphenyl)-;1-m-tolylbutan-1-one;1-m-Tolyl-butan-1-one;1-(m-Tolyl)butan-1-one;1-(3-methylphenyl)-1butanone;SCHEMBL2027904;DTXSID80401753;AKOS010015356;CS-0357957;N13969;N-(2-Hydroxyethyl)piperazine-N inverted exclamation mark -(2-ethanesulfonicacid),sodiumsalt

Suppliers and Price of 1-(3-Methylphenyl)butan-1-one

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
3''-Methyl-butyrophenone
500mg
$ 90.00

Rieke Metals
1-m-Tolyl-butan-1-one
1g
$ 527.00

Rieke Metals
1-m-Tolyl-butan-1-one
5g
$ 1328.00

American Custom Chemicals Corporation
3'-METHYL-BUTYROPHENONE 95.00%
5G
$ 1229.21

American Custom Chemicals Corporation
3'-METHYL-BUTYROPHENONE 95.00%
1G
$ 708.61

Total 3 raw suppliers

Chemical Property of 1-(3-Methylphenyl)butan-1-one

Chemical Property:

Vapor Pressure:0.0236mmHg at 25°C
Refractive Index:1.503
Boiling Point:248.9°C at 760 mmHg
Flash Point:110.2°C
PSA：17.07000
Density:0.952g/cm³
LogP:2.97780
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:162.104465066
Heavy Atom Count:12
Complexity:151

Purity/Quality:

99% ^*data from raw suppliers

3''-Methyl-butyrophenone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)C1=CC=CC(=C1)C

Technology Process of 1-(3-Methylphenyl)butan-1-one

There total 9 articles about 1-(3-Methylphenyl)butan-1-one 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: 96.0%

: 927-77-5
n-propylmagnesium bromide

: 620-22-4
3-Methylbenzonitrile

: 21550-12-9
1-(3-methylphenyl)butan-1-one

Guidance literature:: With copper(l) iodide; In tetrahydrofuran; for 22h; Inert atmosphere;
DOI:10.1039/c3cc49068h

Reference yield: 76.0%

: 102-82-9
tributyl-amine

: 625-95-6
3-Iodotoluene

: 21550-12-9
1-(3-methylphenyl)butan-1-one

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); tetrabutylammomium bromide; water; zinc(II) oxide; In dimethyl sulfoxide; at 100 ℃; for 36h;
DOI:10.1021/ol200404z

Reference yield: 58.0%

: 64-18-6
formic acid

: 625-95-6
3-Iodotoluene

: 106-94-5
propyl bromide

: 21550-12-9
1-(3-methylphenyl)butan-1-one

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; acetic anhydride; magnesium; triphenylphosphine; zinc(II) chloride; In tetrahydrofuran; at 55 ℃; for 12h; Inert atmosphere; Sealed tube;
DOI:10.1002/adsc.201800879