Methyl (2S-(2alpha,3alpha,4beta(S*)))-tetrahydro-2-methyl-6-oxo-4-((1-phenylethyl)amino)-2H-pyran-3-carboxylate hydrochloride

Base Information

Chemical Name:Methyl (2S-(2alpha,3alpha,4beta(S*)))-tetrahydro-2-methyl-6-oxo-4-((1-phenylethyl)amino)-2H-pyran-3-carboxylate hydrochloride
CAS No.:81972-25-0
Molecular Formula:C16H22ClNO4
Molecular Weight:327.808
Hs Code.:
European Community (EC) Number:279-860-6
DSSTox Substance ID:DTXSID301002345
Mol file:81972-25-0.mol

Synonyms:81972-25-0;EINECS 279-860-6;Methyl (2S-(2alpha,3alpha,4beta(S*)))-tetrahydro-2-methyl-6-oxo-4-((1-phenylethyl)amino)-2H-pyran-3-carboxylate hydrochloride;SCHEMBL10817114;DTXSID301002345;Methyl 2-methyl-6-oxo-4-[(1-phenylethyl)amino]oxane-3-carboxylate--hydrogen chloride (1/1)

Suppliers and Price of Methyl (2S-(2alpha,3alpha,4beta(S*)))-tetrahydro-2-methyl-6-oxo-4-((1-phenylethyl)amino)-2H-pyran-3-carboxylate hydrochloride

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 2 raw suppliers

Chemical Property of Methyl (2S-(2alpha,3alpha,4beta(S*)))-tetrahydro-2-methyl-6-oxo-4-((1-phenylethyl)amino)-2H-pyran-3-carboxylate hydrochloride

Chemical Property:

PSA：64.63000
LogP:3.02330
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:327.1237359
Heavy Atom Count:22
Complexity:379

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(C(CC(=O)O1)NC(C)C2=CC=CC=C2)C(=O)OC.Cl
Isomeric SMILES:C[C@H]1[C@H]([C@@H](CC(=O)O1)N[C@H](C)C2=CC=CC=C2)C(=O)OC.Cl

Technology Process of Methyl (2S-(2alpha,3alpha,4beta(S*)))-tetrahydro-2-methyl-6-oxo-4-((1-phenylethyl)amino)-2H-pyran-3-carboxylate hydrochloride

There total 3 articles about Methyl (2S-(2alpha,3alpha,4beta(S*)))-tetrahydro-2-methyl-6-oxo-4-((1-phenylethyl)amino)-2H-pyran-3-carboxylate hydrochloride 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: 57.0%

: 101142-85-2,81972-26-1
-2-acetyl-3-<(1-phenylethyl)amino>-2-pentenedioic acid dimethyl ester

: 101032-72-8
(2R,3R,4S)-2-Methyl-6-oxo-4-(1-phenyl-ethylamino)-tetrahydro-pyran-3-carboxylic acid methyl ester

: 81972-25-0
<2S-<2α,3α,4β(R^*)>>-tetrahydro-2-methyl-6-oxo-4-<(1-phenylethyl)amino>-2H-pyran-3-carboxylic acid methyl ester hydrochloride

Guidance literature:: With phosphoric acid; hydrogen; platinum on activated charcoal; In acetic acid; at 15 - 20 ℃; for 20h; under 51714.8 Torr;
DOI:10.1021/jo00359a021

Reference yield:

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

: 81972-25-0
<2S-<2α,3α,4β(R^*)>>-tetrahydro-2-methyl-6-oxo-4-<(1-phenylethyl)amino>-2H-pyran-3-carboxylic acid methyl ester hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) acetic acid / 1.) toluene, 60 deg C, 4 h, 2.) toluene, 25 deg C

2: 57 percent / H₂, 85percent aq. H₃PO₄ / 5percent Pt/C / acetic acid / 20 h / 15 - 20 °C / 51714.8 Torr

With phosphoric acid; hydrogen; acetic acid; platinum on activated charcoal; In acetic acid;
DOI:10.1021/jo00359a021

Reference yield:

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

: 81972-25-0
<2S-<2α,3α,4β(R^*)>>-tetrahydro-2-methyl-6-oxo-4-<(1-phenylethyl)amino>-2H-pyran-3-carboxylic acid methyl ester hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) acetic acid / 1.) toluene, 60 deg C, 4 h, 2.) toluene, 25 deg C

2: 57 percent / H₂, 85percent aq. H₃PO₄ / 5percent Pt/C / acetic acid / 20 h / 15 - 20 °C / 51714.8 Torr

With phosphoric acid; hydrogen; acetic acid; platinum on activated charcoal; In acetic acid;
DOI:10.1021/jo00359a021