Methyl 2,3-dimethyl-2-(phenylsulfanyl)but-3-enoate

Base Information

Chemical Name:Methyl 2,3-dimethyl-2-(phenylsulfanyl)but-3-enoate
CAS No.:86895-77-4
Molecular Formula:C13H16O2S
Molecular Weight:236.335
Hs Code.:
DSSTox Substance ID:DTXSID70513935

Synonyms:86895-77-4;Methyl 2,3-dimethyl-2-(phenylsulfanyl)but-3-enoate;DTXSID70513935

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

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Chemical Property of Methyl 2,3-dimethyl-2-(phenylsulfanyl)but-3-enoate

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:236.08710092
Heavy Atom Count:16
Complexity:269

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 2,3-dimethyl-2-(phenylsulfanyl)but-3-enoate

There total 8 articles about Methyl 2,3-dimethyl-2-(phenylsulfanyl)but-3-enoate 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: 96.0%

: (E)-1-Methoxy-3-methyl-2-phenylsulfanyl-buta-1,3-dien-1-ol anion

: 74-88-4
methyl iodide

: 86895-77-4
methyl 2,3-dimethyl-2-phenylthiobut-3-enoate

Guidance literature:: In tetrahydrofuran; from -78 deg C to rt, 3-4 h;

Reference yield:

: 69367-52-8,70332-52-4,114528-93-7,26330-51-8
methyl 2-bromo-3-methylbutanoic ester

: 86895-77-4
methyl 2,3-dimethyl-2-phenylthiobut-3-enoate

Guidance literature:: Multi-step reaction with 4 steps

1: 89 percent / NaOH / ethanol

2: 83 percent / NaIO₄ / methanol; H₂O / MCPBA, ether, 0 deg C

3: 90 percent / Ac₂O, MsOH / CH₂Cl₂

4: 1.) t-BuOK / 1.) THF, -78 to 0 deg C

With sodium hydroxide; sodium periodate; methanesulfonic acid; potassium tert-butylate; acetic anhydride; In methanol; ethanol; dichloromethane; water;
DOI:10.1016/S0040-4039(00)81858-4

Reference yield:

: 101518-51-8
3-Methyl-2-phenylsulfanyl-butyric acid ethyl ester

: 86895-77-4
methyl 2,3-dimethyl-2-phenylthiobut-3-enoate

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / NaIO₄ / methanol; H₂O / MCPBA, ether, 0 deg C

2: 90 percent / Ac₂O, MsOH / CH₂Cl₂

3: 1.) t-BuOK / 1.) THF, -78 to 0 deg C

With sodium periodate; methanesulfonic acid; potassium tert-butylate; acetic anhydride; In methanol; dichloromethane; water;
DOI:10.1016/S0040-4039(00)81858-4