Methyl 3-[methyl(methylsulfonyl)amino]-5-[[[(1R)-1-phenylethyl]amino]carbonyl]benzoate

Base Information

Chemical Name:Methyl 3-[methyl(methylsulfonyl)amino]-5-[[[(1R)-1-phenylethyl]amino]carbonyl]benzoate
CAS No.:695215-95-3
Molecular Formula:C19H22N2O5S
Molecular Weight:390.46
Hs Code.:
DSSTox Substance ID:DTXSID101126478

Synonyms:SCHEMBL13228791;Methyl 3-[methyl(methylsulfonyl)amino]-5-[[[(1R)-1-phenylethyl]amino]carbonyl]benzoate;DTXSID101126478;695215-95-3

Suppliers and Price of Methyl 3-[methyl(methylsulfonyl)amino]-5-[[[(1R)-1-phenylethyl]amino]carbonyl]benzoate

Supply Marketing:

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

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Chemical Property of Methyl 3-[methyl(methylsulfonyl)amino]-5-[[[(1R)-1-phenylethyl]amino]carbonyl]benzoate

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:390.12494298
Heavy Atom Count:27
Complexity:625

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)OC
Isomeric SMILES:C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)OC

Technology Process of Methyl 3-[methyl(methylsulfonyl)amino]-5-[[[(1R)-1-phenylethyl]amino]carbonyl]benzoate

There total 4 articles about Methyl 3-[methyl(methylsulfonyl)amino]-5-[[[(1R)-1-phenylethyl]amino]carbonyl]benzoate 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: 95.0%

: 3886-69-9
(R)-1-phenyl-ethyl-amine

: 695215-94-2
3-(methoxycarbonyl)-5-[methyl(methylsulfonyl)amino]benzoic acid

: 695215-95-3
methyl-3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate

Guidance literature:: With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; diisopropylamine; In dichloromethane; at 20 ℃; for 1h;
DOI:10.1021/jm049379g

Reference yield:

: 695215-93-1
dimethyl-5-[methyl(methylsulfonyl)amino]isophthalate

: 695215-95-3
methyl-3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / NaOH / tetrahydrofuran; methanol; H₂O / 14 h / 23 °C

2: EDC; HOBT; diisopropylethylamine / dimethylformamide; CH₂Cl₂ / 20 h / 20 °C

With sodium hydroxide; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm061338s

Reference yield:

: 99-27-4
dimethyl 5-aminoisophthalate

: 695215-95-3
methyl-3-[methyl(methylsulfonyl)amino]-5-((1R)-1-phenylethylaminocarbonyl)benzoate

Guidance literature:: Multi-step reaction with 4 steps

1.1: 95 percent / pyridine / CH₂Cl₂ / 14 h / 23 °C

2.1: NaH / dimethylformamide / 23 °C

2.2: 91 percent / dimethylformamide / 5 h / 23 °C

3.1: 82 percent / NaOH / tetrahydrofuran; methanol; H₂O / 14 h / 23 °C

4.1: EDC; HOBT; diisopropylethylamine / dimethylformamide; CH₂Cl₂ / 20 h / 20 °C

With pyridine; sodium hydroxide; sodium hydride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm061338s