2-Mercapto-4-methoxybenzaldehyde

Base Information

• Chemical Name: 2-Mercapto-4-methoxybenzaldehyde
• CAS No.: 294674-98-9
• Molecular Formula: C8H8O2S
• Molecular Weight: 168.216
• DSSTox Substance ID: DTXSID10459742
• Nikkaji Number: J1.357.755B
• Mol file: 294674-98-9.mol

Synonyms:2-MERCAPTO-4-METHOXYBENZALDEHYDE;294674-98-9;4-methoxy-2-sulfanylbenzaldehyde;Benzaldehyde, 2-mercapto-4-methoxy-;SCHEMBL18535520;DTXSID10459742;AKOS006228339;EN300-673747

Chemical Property of 2-Mercapto-4-methoxybenzaldehyde

Chemical Property:

• PSA: 65.10000
• LogP: 1.79640
• XLogP3: 1.5
• 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:

97% ^*data from raw suppliers

2-MERCAPTO-4-METHOXYBENZALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Mercapto-4-methoxybenzaldehyde

There total 3 articles about 2-Mercapto-4-methoxybenzaldehyde 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:

dimethylthiocarbamic acid S-(2-formyl-5-methoxyphenyl) ester (476199-19-6) → 2-mercapto-4-methoxybenzaldehyde (294674-98-9)

Guidance literature:

dimethylthiocarbamic acid S-(2-formyl-5-methoxyphenyl) ester; With water; sodium hydroxide; In methanol; Reflux;

With hydrogenchloride; water; In methanol; at 25 ℃; pH=5;

DOI:10.1016/j.bmc.2010.05.068

Reference yield:

2-Hydroxy-4-methoxybenzaldehyde (673-22-3) → 2-mercapto-4-methoxybenzaldehyde (294674-98-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / N,N-dimethyl-formamide / 0 °C

2: toluene / 180 °C

3: sodium hydroxide; water

With water; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; In N,N-dimethyl-formamide; toluene;

DOI:10.1021/bi301411d

Reference yield:

dimethylthiocarbamic acid O-(2-formyl-5-methoxyphenyl) ester (476199-18-5) → 2-mercapto-4-methoxybenzaldehyde (294674-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 180 °C

2: sodium hydroxide; water

With water; sodium hydroxide; In toluene;

DOI:10.1021/bi301411d

upstream raw materials:

dimethylthiocarbamic acid S-(2-formyl-5-methoxyphenyl) ester

2-Hydroxy-4-methoxybenzaldehyde

dimethylthiocarbamic acid O-(2-formyl-5-methoxyphenyl) ester

Downstream raw materials:

(6-methoxybenzo[b]thiophen-2-yl)(3,4,5-trimethoxyphenyl)methanone

2-cyano-6-methoxybenzothiophene

6-hydroxy-2-cyanobenzothiophene

2-phenylbenzo[b]thiophene-6-ol