Methyl 2-(chlorosulfonyl)-4-methoxybenzoate

Base Information

• Chemical Name: Methyl 2-(chlorosulfonyl)-4-methoxybenzoate
• CAS No.: 108318-75-8
• Molecular Formula: C₉H₉ClO₅S
• Molecular Weight: 264.686
• European Community (EC) Number: 823-663-5
• DSSTox Substance ID: DTXSID60548933
• Wikidata: Q82427792
• Mol file: 108318-75-8.mol

Synonyms:108318-75-8;methyl 2-(chlorosulfonyl)-4-methoxybenzoate;methyl 2-chlorosulfonyl-4-methoxybenzoate;2-(CHLOROSULFONYL)-4-METHOXYBENZOIC ACID METHYL ESTER;Benzoic acid, 2-(chlorosulfonyl)-4-methoxy-, methyl ester;SCHEMBL8898995;DTXSID60548933;OJRCIKNACBOQPP-UHFFFAOYSA-N;AT12646;AT12650;methyl2-(chlorosulfonyl)-4-methoxybenzoate;EN300-115645

Chemical Property of Methyl 2-(chlorosulfonyl)-4-methoxybenzoate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 263.9859223
• Heavy Atom Count: 16
• Complexity: 347

Purity/Quality:

Methyl2-(Chlorosulfonyl)-4-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)Cl

Technology Process of Methyl 2-(chlorosulfonyl)-4-methoxybenzoate

There total 6 articles about Methyl 2-(chlorosulfonyl)-4-methoxybenzoate 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:

methyl 2-mercapto-4-methoxybenzoate (104795-56-4) → methyl 2-(chlorosulfonyl)-4-methoxybenzoate (108318-75-8)

Guidance literature:

With sulfuryl dichloride; potassium nitrate; In acetonitrile;

DOI:10.1016/S0968-0896(98)00080-7

Reference yield:

4-methoxysalicylic acid (2237-36-7) → methyl 2-(chlorosulfonyl)-4-methoxybenzoate (108318-75-8)

Guidance literature:

Multi-step reaction with 5 steps

1: HCl gas / Heating

2: DABCO / dimethylformamide

3: Heating

4: NaH / methanol / Heating

5: KNO₃, SO₂Cl₂ / acetonitrile

With 1,4-diaza-bicyclo[2.2.2]octane; hydrogenchloride; sulfuryl dichloride; sodium hydride; potassium nitrate; In methanol; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/S0968-0896(98)00080-7

Reference yield:

4-methoxymethylsalicylate (5446-02-6) → methyl 2-(chlorosulfonyl)-4-methoxybenzoate (108318-75-8)

Guidance literature:

Multi-step reaction with 4 steps

1: DABCO / dimethylformamide

2: Heating

3: NaH / methanol / Heating

4: KNO₃, SO₂Cl₂ / acetonitrile

With 1,4-diaza-bicyclo[2.2.2]octane; sulfuryl dichloride; sodium hydride; potassium nitrate; In methanol; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/S0968-0896(98)00080-7

upstream raw materials:

methyl 2-mercapto-4-methoxybenzoate

4-methoxysalicylic acid

4-methoxymethylsalicylate

methyl 2-{[(dimethylamino)carbonyl]thio}-4-methoxybenzoate