(4S,5R)-Methyl 5-methyloxazolidine-4-carboxylate

Base Information

• Chemical Name: (4S,5R)-Methyl 5-methyloxazolidine-4-carboxylate
• CAS No.: 368424-95-7
• Molecular Formula: C6H11 N O3
• Molecular Weight: 145.158
• DSSTox Substance ID: DTXSID201239563
• Nikkaji Number: J3.121.003H
• Mol file: 368424-95-7.mol

Synonyms:368424-95-7;(4S,5R)-Methyl 5-methyloxazolidine-4-carboxylate;SCHEMBL17428705;DTXSID201239563;4-Oxazolidinecarboxylicacid,5-methyl-,methylester,(4S,5R)-(9CI);AKOS006355519;Methyl (4S,5R)-5-methyl-4-oxazolidinecarboxylate

Chemical Property of (4S,5R)-Methyl 5-methyloxazolidine-4-carboxylate

Chemical Property:

• Boiling Point: 190.3±35.0 °C(Predicted)
• PKA: 6.25±0.60(Predicted)
• PSA: 47.56000
• Density: 1.088±0.06 g/cm3(Predicted)
• LogP: -0.17740
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(NCO1)C(=O)OC
• Isomeric SMILES: C[C@@H]1[C@H](NCO1)C(=O)OC

Technology Process of (4S,5R)-Methyl 5-methyloxazolidine-4-carboxylate

There total 4 articles about (4S,5R)-Methyl 5-methyloxazolidine-4-carboxylate 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:

1,3,5-Trioxan (110-88-3) + L-threonine methyl ester hydrochloride (39994-75-7) → methyl (4S,5R)-5-methyloxazolidine-4-carboxylate (368424-95-7)

Guidance literature:

With triethylamine; In toluene; at 65 ℃; for 4h;

Reference yield:

1,3,5-Trioxan (110-88-3) + L-threonine methyl ester (3373-59-9) → methyl (4S,5R)-5-methyloxazolidine-4-carboxylate (368424-95-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2004.11.134

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + L-threonine methyl ester (3373-59-9) → methyl (4S,5R)-5-methyloxazolidine-4-carboxylate (368424-95-7)

Guidance literature:

With trifluoroacetic acid; for 8h; Ambient temperature;

DOI:10.1021/ja990582o

upstream raw materials:

formaldehyd

L-threonine methyl ester hydrochloride

L-threonine methyl ester

1,3,5-Trioxan

Downstream raw materials:

N-methyl-L-threonine methyl ester

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