Methyl 4-methyl-5-[methyl(phenyl)amino]-5-sulfanylidenepentanoate

Base Information

Chemical Name:Methyl 4-methyl-5-[methyl(phenyl)amino]-5-sulfanylidenepentanoate
CAS No.:820244-31-3
Molecular Formula:C14H19NO2S
Molecular Weight:265.376
Hs Code.:
DSSTox Substance ID:DTXSID10514527

Synonyms:820244-31-3;Methyl 4-methyl-5-[methyl(phenyl)amino]-5-sulfanylidenepentanoate;DTXSID10514527

Suppliers and Price of Methyl 4-methyl-5-[methyl(phenyl)amino]-5-sulfanylidenepentanoate

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
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price

Total 1 raw suppliers

Chemical Property of Methyl 4-methyl-5-[methyl(phenyl)amino]-5-sulfanylidenepentanoate

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:265.11365002
Heavy Atom Count:18
Complexity:288

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CCC(=O)OC)C(=S)N(C)C1=CC=CC=C1

Technology Process of Methyl 4-methyl-5-[methyl(phenyl)amino]-5-sulfanylidenepentanoate

There total 5 articles about Methyl 4-methyl-5-[methyl(phenyl)amino]-5-sulfanylidenepentanoate 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: 93.0%

: 820244-29-9
methyl 4-methyl-5-[methyl(phenyl)amino]-5-oxopentanoate

: 820244-31-3
methyl 4-methyl-5-[methyl(phenyl)amino]-5-thioxopentanoate

Guidance literature:: With Lawessons reagent; In toluene; at 130 ℃; for 0.5h;
DOI:10.1002/hlca.200490226

Reference yield:

: 73746-79-9,80698-15-3,107242-87-5,10603-03-9,823-22-3
α-methyl-δ-valerolactone

: 820244-31-3
methyl 4-methyl-5-[methyl(phenyl)amino]-5-thioxopentanoate

Guidance literature:: Multi-step reaction with 4 steps

1: 88 percent / AlCl₃ / 1,2-dichloro-ethane / 5 h / 15 - 25 °C

2: 73 percent / NaIO₄; RuCl₃*H₂O / acetonitrile; ethyl acetate; H₂O / 4 h / 20 °C

3: 100 percent / tetrahydrofuran; diethyl ether / 0 - 20 °C

4: 93 percent / Lawesson reagent / toluene / 0.5 h / 130 °C

With Lawessons reagent; ruthenium trichloride; sodium periodate; aluminium trichloride; In tetrahydrofuran; diethyl ether; water; ethyl acetate; 1,2-dichloro-ethane; toluene; acetonitrile;
DOI:10.1002/hlca.200490226

Reference yield:

: 542-28-9,26354-94-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 820244-31-3
methyl 4-methyl-5-[methyl(phenyl)amino]-5-thioxopentanoate

Guidance literature:: Multi-step reaction with 5 steps

1.1: LDA / tetrahydrofuran / 1 h / -65 - -60 °C

1.2: 44 percent / 1,3-dimethylimidazolidin-2-one / tetrahydrofuran / 4 h / -65 °C

2.1: 88 percent / AlCl₃ / 1,2-dichloro-ethane / 5 h / 15 - 25 °C

3.1: 73 percent / NaIO₄; RuCl₃*H₂O / acetonitrile; ethyl acetate; H₂O / 4 h / 20 °C

4.1: 100 percent / tetrahydrofuran; diethyl ether / 0 - 20 °C

5.1: 93 percent / Lawesson reagent / toluene / 0.5 h / 130 °C

With Lawessons reagent; ruthenium trichloride; sodium periodate; aluminium trichloride; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; water; ethyl acetate; 1,2-dichloro-ethane; toluene; acetonitrile;
DOI:10.1002/hlca.200490226