1-(2-Iodo-3-methylphenyl)ethanone

Base Information

Chemical Name:1-(2-Iodo-3-methylphenyl)ethanone
CAS No.:52107-79-6
Molecular Formula:C9H9IO
Molecular Weight:260.074
Hs Code.:
DSSTox Substance ID:DTXSID90553156
Nikkaji Number:J1.543.562C
Wikidata:Q82433680
Mol file:52107-79-6.mol

Synonyms:1-(2-Iodo-3-methylphenyl)ethanone;52107-79-6;1-(2-Iodo-3-methyl-phenyl)-ethanone;2'-Iodo-3'-methylacetophenone;1-(2-Iodo-3-methylphenyl)ethan-1-one;SCHEMBL4067363;DTXSID90553156;BMUDGSSRVPNBJV-UHFFFAOYSA-N;InChI=1/C9H9IO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5H,1-2H

Suppliers and Price of 1-(2-Iodo-3-methylphenyl)ethanone

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

Chemcia Scientific
1-(2-Iodo-3-methyl-phenyl)-ethanone 95%
1 G
$ 595.00

Total 4 raw suppliers

Chemical Property of 1-(2-Iodo-3-methylphenyl)ethanone

Chemical Property:

PSA：17.07000
LogP:2.80220
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:259.96981
Heavy Atom Count:11
Complexity:156

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Iodo-3-methyl-phenyl)-ethanone 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C(=O)C)I

Technology Process of 1-(2-Iodo-3-methylphenyl)ethanone

There total 6 articles about 1-(2-Iodo-3-methylphenyl)ethanone 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: 39.0%

: 95-46-5
2-methylphenyl bromide

: 75-05-8,26809-02-9
acetonitrile

: 52107-79-6
1-(2-iodo-3-methylphenyl)ethanone

Guidance literature:: Multistep reaction.;
DOI:10.1002/1099-0690(200104)2001:8<1569::AID-EJOC1569>3.0.CO;2-T

Reference yield:

: 60310-07-8
3-Methyl-2-nitrobenzenecarboxamide

: 52107-79-6
1-(2-iodo-3-methylphenyl)ethanone

Guidance literature:: Multi-step reaction with 5 steps

1: POCl₃

2: (i) H₂, Pd-C, (ii) aq. NaOH

3: (i) NaNO₂, aq. H₂SO₄, (ii) KI

4: SOCl₂

5: (i), (ii) (hydrolysis), (iii) (decarboxylation)

With thionyl chloride; trichlorophosphate;

Reference yield:

: 4389-45-1
3-methylantranilic acid

: 52107-79-6
1-(2-iodo-3-methylphenyl)ethanone

Guidance literature:: Multi-step reaction with 3 steps

1: (i) NaNO₂, aq. H₂SO₄, (ii) KI

2: SOCl₂

3: (i), (ii) (hydrolysis), (iii) (decarboxylation)

With thionyl chloride;