2-(Ethylsulfanyl)benzaldehyde

Base Information

• Chemical Name: 2-(Ethylsulfanyl)benzaldehyde
• CAS No.: 53606-33-0
• Molecular Formula: C9H10OS
• Molecular Weight: 166.244
• DSSTox Substance ID: DTXSID80517641
• Wikidata: Q82379769
• Mol file: 53606-33-0.mol

Synonyms:2-(Ethylsulfanyl)benzaldehyde;53606-33-0;Benzaldehyde, 2-(ethylthio)-;2-(ethylthio)benzaldehyde;2-ethylsulfanylbenzaldehyde;2-ethylsulfanyl benzaldehyde;SCHEMBL2801460;DTXSID80517641;OTPHHWXZMVMABO-UHFFFAOYSA-N;2-(ethylsulfanyl)benzenecarbaldehyde;MFCD18887665;AKOS013115180;AS-59567;W12314

Chemical Property of 2-(Ethylsulfanyl)benzaldehyde

Chemical Property:

• PSA: 42.37000
• LogP: 2.61110
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC=CC=C1C=O

Technology Process of 2-(Ethylsulfanyl)benzaldehyde

There total 9 articles about 2-(Ethylsulfanyl)benzaldehyde 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: 100.0%

2-chloro-benzaldehyde (89-98-5) + ethanethiol (75-08-1) → 2-(ethylsulfanyl)benzenecarbaldehyde (53606-33-0)

Guidance literature:

ethanethiol; With sodium hydroxide; In water; at 20 ℃; for 0.5h;

2-chloro-benzaldehyde; With tetrabutylammomium bromide; In water; at 82 ℃;

DOI:10.1016/j.bmcl.2014.03.024

Reference yield: 82.0%

→ 2-(ethylsulfanyl)benzenecarbaldehyde (53606-33-0)

Guidance literature:

Reference yield: 72.0%

2-Fluorobenzaldehyde (446-52-6) + ethanethiol (75-08-1) → 2-(ethylsulfanyl)benzenecarbaldehyde (53606-33-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 55 ℃; for 72h;

DOI:10.1016/j.jorganchem.2008.03.028

upstream raw materials:

(2-ethylsulfanyl-phenyl)-methanol

N,N-dimethyl-formamide

ortho-bromobenzaldehyde

ethanethiol

Downstream raw materials:

2-[α-hydroxy-2-(ethylthio)benzyl]pyridine

(2-ethylsulfanyl-phenyl)-methanol

2-[α-hydroxy-2'-(ethylthio)benzyl]benzoxazole

2-[α-hydroxy-2'-(ethylthio)benzyl]benzothiazole