4-[(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)METHYL]BENZOIC ACID

Base Information

• Chemical Name: 4-[(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)METHYL]BENZOIC ACID
• CAS No.: 694473-93-3
• Molecular Formula: C₁₅H₁₁NO₅S
• Molecular Weight: 317.322
• Mol file: 694473-93-3.mol

Synonyms:4-[(1,1,3-Trioxo-2,3-dihydro-1λ⁶,2-benzothiazol-2-yl)methyl]benzoic acid

Chemical Property of 4-[(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)METHYL]BENZOIC ACID

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

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Technology Process of 4-[(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)METHYL]BENZOIC ACID

There total 5 articles about 4-[(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)METHYL]BENZOIC 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: 98.0%

tert-butyl 4-[(1,1,3-trioxo-2,3-dihydro-1λ,2-benzothiazol-2-yl)methyl]benzoate (1612763-46-8) → 4-[(1,1,3-Trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)methyl]benzoic acid (694473-93-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jm500409k

Reference yield: 85.0%

4-bromomethylbenzoic Acid (6232-88-8) + saccharin (81-07-2) → 4-[(1,1,3-Trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)methyl]benzoic acid (694473-93-3)

Guidance literature:

With sodium hydrogencarbonate; In water; at 80 ℃; for 96h;

DOI:10.1016/j.bmc.2015.07.008

Reference yield:

ethyl 4-[(1,1-dioxide-3-oxo-2H-benzo[d]isothiazol-2-yl)methyl]benzoate (825661-08-3) → 4-[(1,1,3-Trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-yl)methyl]benzoic acid (694473-93-3)

Guidance literature:

With hydrogenchloride; water;

upstream raw materials:

ethyl 4-[(1,1-dioxide-3-oxo-2H-benzo[d]isothiazol-2-yl)methyl]benzoate

saccharin

tert-butyl 4-[(1,1,3-trioxo-2,3-dihydro-1λ,2-benzothiazol-2-yl)methyl]benzoate

4-(bromomethyl)benzoic acid 1,1-dimethylethyl ester

Downstream raw materials:

4-[(1,1,3-Trioxo-2,3-dihydro-1λ⁶,2-benzothiazol-2-yl)methyl]benzoyl chloride

4-[(1,1,3-trioxo-2,3-dihydro-1λ⁶,2-benzothiazol-2-yl)methyl]benzamide

tert-butyl N-[(tert-butoxy)carbonyl]-N-{4-[(1,1,3-trioxo-2,3-dihydro-1λ⁶,2-benzothiazol-2-yl)methyl]benzoyl}carbamate

N-methyl-4-[(1,1,3-trioxo-2,3-dihydro-1λ⁶,2-benzothiazol-2-yl)methyl]benzamide

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