3-Methoxy-2-sulfanylbenzaldehyde

Base Information

• Chemical Name: 3-Methoxy-2-sulfanylbenzaldehyde
• CAS No.: 88791-05-3
• Molecular Formula: C8H8O2S
• Molecular Weight: 168.216
• DSSTox Substance ID: DTXSID40519727
• Nikkaji Number: J1.839.565G
• Wikidata: Q82383121

Synonyms:3-Methoxy-2-sulfanylbenzaldehyde;88791-05-3;Benzaldehyde, 2-mercapto-3-methoxy-;SCHEMBL12565815;DTXSID40519727;EN300-101879

Chemical Property of 3-Methoxy-2-sulfanylbenzaldehyde

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.02450067
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methoxy-2-sulfanylbenzaldehyde

There total 4 articles about 3-Methoxy-2-sulfanylbenzaldehyde 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: 90.0%

S-(2-formyl-6-methoxyphenyl)-N,N-dimethylthiocarbamate (88791-04-2) → 2-mercapto-3-methoxybenzaldehyde (88791-05-3)

Guidance literature:

With sodium hydroxide; In methanol; water; for 1h; Heating;

Reference yield: 37.0%

2-Methoxybenzenethiol (7217-59-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-mercapto-3-methoxybenzaldehyde (88791-05-3)

Guidance literature:

2-Methoxybenzenethiol; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; at 0 - 20 ℃; Inert atmosphere;

N,N-dimethyl-formamide; In hexane; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1080/10426501003772110

Reference yield:

O-(2-formyl-6-methoxyphenyl)-N,N-dimethylthiocarbamate (88791-03-1) → 2-mercapto-3-methoxybenzaldehyde (88791-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / diphenyl ether / 0.25 h / 240 - 250 °C

2: 90 percent / NaOH / methanol; H₂O / 1 h / Heating

With sodium hydroxide; In methanol; diphenylether; water;

upstream raw materials:

S-(2-formyl-6-methoxyphenyl)-N,N-dimethylthiocarbamate

3-methoxy-2-hydroxybenzaldehyde

O-(2-formyl-6-methoxyphenyl)-N,N-dimethylthiocarbamate

2-Methoxybenzenethiol

Downstream raw materials:

7-methoxybenzothiophene-2-carboxylic acid

(2-formyl-6-methoxyphenylthio)acetic acid

(2-tert-butoxycarbonylamino-propionylamino)-(2-formyl-6-methoxy-phenylsulfanyl)-acetic acid tert-butyl ester

C₂₈H₃₀N₄O₈S₂

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