5-tert-Butyl-2-hydroxy-3-(methylthio)benzaldehyde

Base Information

Chemical Name:5-tert-Butyl-2-hydroxy-3-(methylthio)benzaldehyde
CAS No.:81322-70-5
Molecular Formula:C12H16O2S
Molecular Weight:224.324
Hs Code.:
DSSTox Substance ID:DTXSID90518068
Nikkaji Number:J2.155.815J
Wikidata:Q82380481

Synonyms:81322-70-5;5-tert-Butyl-2-hydroxy-3-(methylthio)benzaldehyde;Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-(methylthio)-;5-tert-butyl-2-hydroxy-3-methylsulfanylbenzaldehyde;SCHEMBL11417732;DTXSID90518068;SBYDALDMLSBLMU-UHFFFAOYSA-N;GEO-02513;MFCD27939622;AKOS030576682;3-methylthio-5-(1,1-dimethylethyl)salicylaldehyde;W-200509;5-tert-Butyl-2-hydroxy-3-(methylsulfanyl)benzaldehyde;5-tert-butyl-2-hydroxy-3-methylsulfanyl-benzaldehyde

Suppliers and Price of 5-tert-Butyl-2-hydroxy-3-(methylthio)benzaldehyde

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 5-tert-Butyl-2-hydroxy-3-(methylthio)benzaldehyde

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:224.08710092
Heavy Atom Count:15
Complexity:222

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=C(C(=C1)SC)O)C=O

Technology Process of 5-tert-Butyl-2-hydroxy-3-(methylthio)benzaldehyde

There total 4 articles about 5-tert-Butyl-2-hydroxy-3-(methylthio)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: 76.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 64096-97-5
2-(methylthio)-4-(1,1-dimethylethyl)phenol

: 81322-70-5
5-tert-butyl-2-hydroxy-3-methylsulfanylbenzaldehyde

Guidance literature:: formaldehyd; 2-(methylthio)-4-(1,1-dimethylethyl)phenol; With triethylamine; magnesium chloride; In acetonitrile; for 4h; Heating;

With hydrogenchloride; In acetonitrile; at 20 ℃;
DOI:10.1039/b505972k

Reference yield:

: 61626-89-9
2-aminomethyl-4-(1,1-dimethylethyl)-6-(methylthio)phenol hydrochloride

: 81322-70-5
5-tert-butyl-2-hydroxy-3-methylsulfanylbenzaldehyde

Guidance literature:

Reference yield:

: 98-54-4
para-tert-butylphenol

: 81322-70-5
5-tert-butyl-2-hydroxy-3-methylsulfanylbenzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1.1: FeCl₃ / toluene / 6 h / Heating

1.2: 63 percent / aq. HCl / toluene / 20 °C

2.1: triethylamine; MgCl₂ / acetonitrile / 4 h / Heating

2.2: 76 percent / aq. HCl / acetonitrile / 20 °C

With iron(III) chloride; triethylamine; magnesium chloride; In toluene; acetonitrile; 2.1: Hofslokken-Skattebol's procedure;
DOI:10.1039/b505972k