2'-Methylbutyrophenone

Base Information

Chemical Name:2'-Methylbutyrophenone
CAS No.:35028-06-9
Molecular Formula:C11H14 O
Molecular Weight:162.232
Hs Code.:2914399090
European Community (EC) Number:252-323-3
UNII:R85XVR3L6H
DSSTox Substance ID:DTXSID70188546
Nikkaji Number:J289.879I
Wikidata:Q83060347
Mol file:35028-06-9.mol

Synonyms:2'-Methylbutyrophenone;35028-06-9;1-(2-methylphenyl)butan-1-one;EINECS 252-323-3;1-(2-methylphenyl)-1-butanone;1-o-Tolyl-1-butanone;1-o-Tolyl-butan-1-one;Butyrophenone, 2'-methyl-;R85XVR3L6H;SCHEMBL3346960;DTXSID70188546;ALQIJXZCLUTTIY-UHFFFAOYSA-N;1-Butanone, 1-(2-methylphenyl)-;AKOS010014651;N13966

Suppliers and Price of 2'-Methylbutyrophenone

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

Rieke Metals
1-o-Tolyl-butan-1-one
5g
$ 927.00

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

Total 6 raw suppliers

Chemical Property of 2'-Methylbutyrophenone

Chemical Property:

Boiling Point:243°Cat760mmHg
Flash Point:106.4°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:

98%Min ^*data from raw suppliers

1-o-Tolyl-butan-1-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)C1=CC=CC=C1C

Technology Process of 2'-Methylbutyrophenone

There total 18 articles about 2'-Methylbutyrophenone 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: 71.0%

: 529-19-1
2-Methylbenzonitrile

: 35028-06-9
1-(2-methylphenyl)-1-butanone

Guidance literature:: EtCH₂X; With iodine; magnesium; In diethyl ether; for 1.5h; Heating;

2-Methylbenzonitrile; In diethyl ether; for 2h; Heating;
DOI:10.1021/jo040173x

Reference yield: 60.0%

: 64-18-6
formic acid

: 615-37-2
ortho-methylphenyl iodide

: 106-94-5
propyl bromide

: 35028-06-9
1-(2-methylphenyl)-1-butanone

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

Reference yield: 57.0%

: 123-73-9,4170-30-3
trans-Crotonaldehyde

: 16419-60-6
2-Methylphenylboronic acid

: 35028-06-9
1-(2-methylphenyl)-1-butanone

Guidance literature:: With rhodium(II) acetate dimer; water; potassium carbonate; tri tert-butylphosphoniumtetrafluoroborate; In toluene; at 90 ℃; for 6h; Inert atmosphere; Sealed tube;
DOI:10.1039/c8ob01997e