1,3-Benzoxathiol-2-one, 5-methoxy-

Base Information

• Chemical Name: 1,3-Benzoxathiol-2-one, 5-methoxy-
• CAS No.: 1483-20-1
• Molecular Formula: C8H6 O3 S
• Molecular Weight: 182.2
• DSSTox Substance ID: DTXSID80163945
• Nikkaji Number: J1.077.946D
• Wikidata: Q83032940
• Mol file: 1483-20-1.mol

Synonyms:1,3-Benzoxathiol-2-one, 5-methoxy-;1483-20-1;5-methoxy-1,3-benzoxathiol-2-one;ChemDiv2_003062;SCHEMBL2102718;DTXSID80163945;HMS1377L04;5-Methoxy-1,3-benzoxathiole-2-one;1,3-Benzoxathiol-2-one, 5-methoxy-,;5-methoxybenzo[d][1,3]oxathiol-2-one

Chemical Property of 1,3-Benzoxathiol-2-one, 5-methoxy-

Chemical Property:

• Vapor Pressure: 0.000254mmHg at 25°C
• Boiling Point: 323.9°Cat760mmHg
• Flash Point: 165.2°C
• Density: 1.406g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 182.00376522
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)OC(=O)S2

Technology Process of 1,3-Benzoxathiol-2-one, 5-methoxy-

There total 6 articles about 1,3-Benzoxathiol-2-one, 5-methoxy- 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: 72.0%

5-hydroxybenzo[d][1,3]oxathiol-2-one (7735-56-0) + methyl iodide (74-88-4) → 5-methoxybenzo[d][1,3]oxathiol-2-one (1483-20-1)

Guidance literature:

5-hydroxybenzo[d][1,3]oxathiol-2-one; With sodium hydride; In 1,2-dimethoxyethane; at 0 ℃; for 0.166667h;

methyl iodide; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 8h;

Reference yield: 72.0%

O-(4-methoxyphenyl) N,N-dimethylcarbamothioate (10345-49-0) → 5-methoxybenzo[d][1,3]oxathiol-2-one (1483-20-1)

Guidance literature:

With palladium diacetate; toluene-4-sulfonic acid; acetic acid; p-benzoquinone; In toluene; at 120 ℃; for 12h; Sealed tube;

DOI:10.1002/adsc.201400306

Reference yield: 48.0%

chloro(chlorosulfanyl)methanone (2757-23-5) + 4-methoxy-phenol (150-76-5) → 5-methoxybenzo[d][1,3]oxathiol-2-one (1483-20-1)

Guidance literature:

With aluminium trichloride; tributyl-amine; In 1,2-dichloro-ethane; Ambient temperature;

DOI:10.3987/com-98-s(h)23

upstream raw materials:

chloro(chlorosulfanyl)methanone

4-methoxy-phenol

5-hydroxybenzo[d][1,3]oxathiol-2-one

methyl iodide

Downstream raw materials:

4-(6-methoxybenzo[1,4]oxathiin-2-yl)phenol

C₁₅H₁₄O₄S

2-methanesulfonyl-4-methoxyphenol

4-methoxy-2-(methylthio)phenol