3-Acetyl-2-methyl-3-(phenylthio)-5-hexenal

Base Information

Chemical Name:3-Acetyl-2-methyl-3-(phenylthio)-5-hexenal
CAS No.:77119-57-4
Molecular Formula:C₁₅H₁₈O₂S
Molecular Weight:262.373
Hs Code.:
DSSTox Substance ID:DTXSID901265303

Synonyms:3-Acetyl-2-methyl-3-(phenylthio)-5-hexenal;SCHEMBL11405822;DTXSID901265303;77119-57-4

Suppliers and Price of 3-Acetyl-2-methyl-3-(phenylthio)-5-hexenal

Supply Marketing:

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

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Chemical Property of 3-Acetyl-2-methyl-3-(phenylthio)-5-hexenal

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:262.10275099
Heavy Atom Count:18
Complexity:308

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C=O)C(CC=C)(C(=O)C)SC1=CC=CC=C1

Technology Process of 3-Acetyl-2-methyl-3-(phenylthio)-5-hexenal

There total 4 articles about 3-Acetyl-2-methyl-3-(phenylthio)-5-hexenal 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:

: 3-Allyl-2,5-dimethoxy-2,4-dimethyl-3-phenylsulfanyl-tetrahydro-furan

: 77119-57-4
3-acetyl-2-methyl-3-phenylthio-5-hexenal

Guidance literature:: With hydrogenchloride; at 50 ℃; for 1h;
DOI:10.1246/bcsj.53.3033

Reference yield:

: 5042-53-5
1-(phenylsulfanyl)acetone

: 77119-57-4
3-acetyl-2-methyl-3-phenylthio-5-hexenal

Guidance literature:: Multi-step reaction with 4 steps

1: 82 percent / triethylbenzylammonium chloride, 30percent aq. NaOH / benzene / 10 h / 5 - 10 °C

2: 1.) NaH / 1.) DMF, RT, 2.) DMF, -5 deg C, 1 h

3: 2.) H₂SO₄ / 1.) methanol, -5 deg C, 2.) methanol, -5 deg C

4: 2.9 g / 1 M HCl / 1 h / 50 °C

With hydrogenchloride; sodium hydroxide; sulfuric acid; N-benzyl-N,N,N-triethylammonium chloride; sodium hydride; In benzene;
DOI:10.1246/bcsj.53.3033

Reference yield:

: 65755-66-0
3-phenylthiohex-5-ene-2-one

: 77119-57-4
3-acetyl-2-methyl-3-phenylthio-5-hexenal

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, RT, 2.) DMF, -5 deg C, 1 h

2: 2.) H₂SO₄ / 1.) methanol, -5 deg C, 2.) methanol, -5 deg C

3: 2.9 g / 1 M HCl / 1 h / 50 °C

With hydrogenchloride; sulfuric acid; sodium hydride;
DOI:10.1246/bcsj.53.3033