2-Methoxy-4-(methylthio)benzoic acid

Base Information

• Chemical Name: 2-Methoxy-4-(methylthio)benzoic acid
• CAS No.: 72856-73-6
• Molecular Formula: C9H10O3S
• Molecular Weight: 198.243
• Hs Code.: 2930909090
• European Community (EC) Number: 276-948-6
• DSSTox Substance ID: DTXSID50223161
• Nikkaji Number: J318.873F
• Wikidata: Q83101561
• Mol file: 72856-73-6.mol

Synonyms:2-methoxy-4-(methylthio)benzoic acid;72856-73-6;2-methoxy-4-(methylsulfanyl)benzoic acid;4-(Methylthio)-o-anisic acid;2-methoxy-4-methylsulfanylbenzoic acid;2-Methoxy-4-methylsulfanyl-benzoic acid;EINECS 276-948-6;Benzoic acid,2-methoxy-4-(methylthio)-;SCHEMBL503977;DTXSID50223161;2-methoxy-4-(methylthio)benzoicacid;MFCD00010211;STK374496;AKOS001426354;2-methoxy-4-methylmercapto-benzoic acid;NCGC00331003-01;2-Methoxy-4-(methylmercapto)benzoic acid;benzoic acid, 2-methoxy-4-(methylthio)-;TS-02805;AM20041086;CS-0238973;FT-0612789;EN300-20353;AB01324985-02;2-METHOXY-4-(METHYLTHIO)BENZOIC ACID, 96;A847300;Z104477850

Chemical Property of 2-Methoxy-4-(methylthio)benzoic acid

Chemical Property:

• Vapor Pressure: 2.92E-05mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 342.3 °C at 760 mmHg
• Flash Point: 160.8 °C
• PSA: 71.83000
• Density: 1.29 g/cm³
• LogP: 2.11530
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.03506535
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

2-Methoxy-4-(methylthio)benzoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)SC)C(=O)O

Technology Process of 2-Methoxy-4-(methylthio)benzoic acid

There total 25 articles about 2-Methoxy-4-(methylthio)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: 83.0%

4-mercapto-2-methoxybenzoic acid (95420-72-7) + dimethyl sulfate (77-78-1) → 2-methoxy-4-(methylsulfanyl)benzoic acid (72856-73-6)

Guidance literature:

4-mercapto-2-methoxybenzoic acid; With sodium hydroxide; In water; at 20 ℃;

dimethyl sulfate; In water; at 20 - 90 ℃; for 4h;

DOI:10.1134/S1070428019080062

Reference yield: 41.0%

methylthiol (74-93-1) + 4-Carboxy-3-methoxy-benzenediazonium; chloride → 2-methoxy-4-(methylsulfanyl)benzoic acid (72856-73-6)

Guidance literature:

With copper; 1.) from 0 deg C to 20 deg C, 3 h, 2.) RT, overnight;

DOI:10.1016/0223-5234(90)90141-O

Reference yield:

2'-methoxy-4'-methylthioacetophenone (93276-65-4) → 2-methoxy-4-(methylsulfanyl)benzoic acid (72856-73-6) + 4-methanesulfonyl-2-methoxybenzoic acid (114086-41-8) + 4-Methanesulfinyl-2-methoxy-benzoic acid

Guidance literature:

2'-methoxy-4'-methylthioacetophenone; With bromine; sodium hydroxide; In 1,4-dioxane; water; at 0 ℃; for 2.83333h;

With sodium sulfite; In 1,4-dioxane; water; for 0.166667h;

With hydrogenchloride; water; In 1,4-dioxane;

upstream raw materials:

4-mercapto-2-methoxybenzoic acid

dimethyl sulfate

methyl bromide

methylthiol

Downstream raw materials:

2-<2-methoxy-4-(methylsulfenyl)phenyl>imidazo<4,5-c>pyridine hydrochloride

2-(2-methoxy-4-methylthiophenyl)-1H-imidazo<4,5-b>pyrazine

8-(2-methoxy-4-methylthiophenyl)purine

8-(2-Methoxy-4-methylsulfanyl-phenyl)-9H-purine; hydrochloride