2-Iodo-3,5-dimethylbenzoic acid

Base Information

Chemical Name:2-Iodo-3,5-dimethylbenzoic acid
CAS No.:198220-36-9
Molecular Formula:C₉H₉IO₂
Molecular Weight:276.074
Hs Code.:
NSC Number:158054
DSSTox Substance ID:DTXSID10303377
Nikkaji Number:J2.169.991H
Wikidata:Q82048620

Synonyms:2-iodo-3,5-dimethylbenzoic acid;198220-36-9;Benzoic acid, 2-iodo-3,5-dimethyl-;2-Iodo-3,5-dimethylbenzoicacid;NSC158054;SCHEMBL7822402;DTXSID10303377;AKOS012413212;NSC-158054

Suppliers and Price of 2-Iodo-3,5-dimethylbenzoic acid

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

Matrix Scientific
2-Iodo-3,5-dimethylbenzoic acid 97%
1g
$ 623.00

Crysdot
2-Iodo-3,5-dimethylbenzoicacid 95+%
1g
$ 432.00

Atlantic Research Chemicals
2-Iodo-3,5-dimethylbenzoicacid 95%
1gm:
$ 420.61

American Custom Chemicals Corporation
2-IODO-3,5-DIMETHYLBENZOIC ACID 95.00%
5MG
$ 498.41

Alichem
2-Iodo-3,5-dimethylbenzoicacid
1g
$ 376.64

AK Scientific
2-Iodo-3,5-dimethylbenzoicacid
1g
$ 891.00

Total 2 raw suppliers

Chemical Property of 2-Iodo-3,5-dimethylbenzoic acid

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:275.96473
Heavy Atom Count:12
Complexity:181

Purity/Quality:: 2-Iodo-3,5-dimethylbenzoic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-3,5-dimethylbenzoic acid

There total 3 articles about 2-Iodo-3,5-dimethylbenzoic acid 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: 92.0%

: 14438-32-5
3,5-dimethylanthranilic acid

: 198220-36-9
3,5-dimethyl-2-iodobenzoic acid

Guidance literature:: 3,5-dimethylanthranilic acid; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 3h;

With potassium iodide; In water; at 0 - 60 ℃; for 2.5h;
DOI:10.1021/acs.orglett.6b00224

Reference yield:

: 52095-18-8
3,5-dimethyl-2-nitrobenzoic acid

: 198220-36-9
3,5-dimethyl-2-iodobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogenchloride; tin / ethanol; water / 1.5 h / 50 - 70 °C

2.1: sulfuric acid / water / 0.2 h / 25 °C

2.2: 1.5 h / 0 °C

2.3: 16 h / 25 °C

With hydrogenchloride; tin; sulfuric acid; In ethanol; water;
DOI:10.1021/jo201491q

Reference yield:

: 499-06-9
3,5-dimethylbenzoic acid

: 198220-36-9
3,5-dimethyl-2-iodobenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: sulfuric acid; nitric acid; acetic acid / 0.5 h / 80 °C

2.1: hydrogenchloride; tin / ethanol; water / 1.5 h / 50 - 70 °C

3.1: sulfuric acid / water / 0.2 h / 25 °C

3.2: 1.5 h / 0 °C

3.3: 16 h / 25 °C

With hydrogenchloride; tin; sulfuric acid; nitric acid; acetic acid; In ethanol; water;
DOI:10.1021/jo201491q