o-Methoxybenzenesulphinic acid

Base Information

• Chemical Name: o-Methoxybenzenesulphinic acid
• CAS No.: 13165-78-1
• Molecular Formula: C7H8O3S
• Molecular Weight: 172.205
• Hs Code.: 2930909090
• European Community (EC) Number: 236-107-6
• DSSTox Substance ID: DTXSID10927310
• Nikkaji Number: J317.844G
• Wikidata: Q82901934
• Mol file: 13165-78-1.mol

Synonyms:2-methoxybenzenesulfinic acid;13165-78-1;2-METHOXYBENZENE-1-SULFINIC ACID;o-Methoxybenzenesulphinic acid;o-Anisolsulfinsaure;SCHEMBL6784765;DTXSID10927310;O-METHOXYBENZENESULFINIC ACID;EINECS 236-107-6;2-METHOXYBENZENE-1-SULFINICACID;EN300-721316

Chemical Property of o-Methoxybenzenesulphinic acid

Chemical Property:

• Vapor Pressure: 1.22E-06mmHg at 25°C
• Refractive Index: 1.641
• Boiling Point: 385.8 °C at 760 mmHg
• Flash Point: 187.1 °C
• PSA: 65.74000
• Density: 1.42g/cm³
• LogP: 2.14150
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.01941529
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxybenzenesulfinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1S(=O)O

Technology Process of o-Methoxybenzenesulphinic acid

There total 4 articles about o-Methoxybenzenesulphinic 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: 60.0%

2-bromoanisole (578-57-4) → ortho-methoxybenzenesulfinic acid (13165-78-1)

Guidance literature:

2-bromoanisole; With iodine; magnesium; In diethyl ether; for 3h; Heating;

With sulfur dioxide; In diethyl ether; at -50 - -15 ℃;

DOI:10.3987/COM-04-S(P)32

Reference yield:

2-methoxy-benzenediazonium (17356-93-3) → ortho-methoxybenzenesulfinic acid (13165-78-1)

Guidance literature:

With sulfuric acid; sulfur dioxide; copper;

Reference yield:

2-methoxy-phenylamine (90-04-0) → ortho-methoxybenzenesulfinic acid (13165-78-1)

Guidance literature:

Multistep reaction; (i) (diazotization), (ii) SO₂;

DOI:10.1246/bcsj.39.1788

upstream raw materials:

2-methoxy-benzenediazonium

2-methoxy-phenylamine

2-bromoanisole

Downstream raw materials:

4-methoxyphenyl-3-sulfonic acid

o-Methoxybenzenesulfonyl chloride

1-methanesulfonyl-2-methoxy-benzene

1-methoxy-2-(methylsulfonyl)-4-nitrobenzene

Refernces