3-Methyl-1-oxo-1H-isochromene-4-carboxylic acid

Base Information

Chemical Name:3-Methyl-1-oxo-1H-isochromene-4-carboxylic acid
CAS No.:16984-81-9
Molecular Formula:C₁₁H₈O₄
Molecular Weight:204.182
Hs Code.:
DSSTox Substance ID:DTXSID00493559
Nikkaji Number:J1.428.425G
Wikidata:Q72494260
Mol file:16984-81-9.mol

Synonyms:16984-81-9;3-METHYL-1-OXO-1H-ISOCHROMENE-4-CARBOXYLIC ACID;3-methyl-1-oxoisochromene-4-carboxylic acid;3-Methyl-1-oxo-1H-2-benzopyran-4-carboxylic acid;SCHEMBL2154703;DTXSID00493559;4-carboxy-3-methylisochromen-1-one;AKOS015957375;EN300-235944;J-512830;F2176-0068

Suppliers and Price of 3-Methyl-1-oxo-1H-isochromene-4-carboxylic 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

TRC
3-methyl-1-oxo-1H-isochromene-4-carboxylicAcid
100mg
$ 220.00

Matrix Scientific
3-Methyl-1-oxo-1H-isochromene-4-carboxylic acid 95%+
5g
$ 1728.00

Matrix Scientific
3-Methyl-1-oxo-1H-isochromene-4-carboxylic acid 95%+
2.500g
$ 1144.00

Matrix Scientific
3-Methyl-1-oxo-1H-isochromene-4-carboxylic acid 95%+
1g
$ 524.00

American Custom Chemicals Corporation
3-METHYL-1-OXO-1H-ISOCHROMENE-4-CARBOXYLIC ACID 95.00%
5MG
$ 503.77

Total 2 raw suppliers

Chemical Property of 3-Methyl-1-oxo-1H-isochromene-4-carboxylic acid

Chemical Property:

PSA：67.51000
LogP:1.79960
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:204.04225873
Heavy Atom Count:15
Complexity:343

Purity/Quality:

99% ^*data from raw suppliers

3-methyl-1-oxo-1H-isochromene-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=CC=CC=C2C(=O)O1)C(=O)O

Technology Process of 3-Methyl-1-oxo-1H-isochromene-4-carboxylic acid

There total 1 articles about 3-Methyl-1-oxo-1H-isochromene-4-carboxylic 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:

: 16984-81-9
4-carboxy-1H-3-methyl-2-benzopyran-1-one

Guidance literature:: Homophthalsaeureanhydrid, Keten;

Reference yield:

: 16984-81-9
4-carboxy-1H-3-methyl-2-benzopyran-1-one

: 87275-17-0
4-(4-bromobenzoyl)-3-methylisocoumarin

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂, pyridine / toluene / 6 h / 80 - 90 °C

2: 50.3 percent / anhydrous AlCl₃ / various solvent(s) / 3 h / 90 - 100 °C

With pyridine; aluminium trichloride; thionyl chloride; In toluene;
DOI:10.1248/cpb.31.1277

Reference yield:

: 16984-81-9
4-carboxy-1H-3-methyl-2-benzopyran-1-one

: 87275-18-1
4-(4-cyanobenzoyl)-3-methylisocoumarin

Guidance literature:: Multi-step reaction with 3 steps

1: SOCl₂, pyridine / toluene / 6 h / 80 - 90 °C

2: 50.3 percent / anhydrous AlCl₃ / various solvent(s) / 3 h / 90 - 100 °C

3: 2.) FeCl₃, HCl / 1.) DMF, 160-165 deg C, 5 h; 2.) water, 60-70 deg C, 20 min

With pyridine; hydrogenchloride; aluminium trichloride; thionyl chloride; iron(III) chloride; In toluene;
DOI:10.1248/cpb.31.1277