(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid

Base Information

• Chemical Name: (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid
• CAS No.: 143527-70-2
• Molecular Formula: C₁₇H₂₃NO₅
• Molecular Weight: 321.373
• Hs Code.: 2934999090
• European Community (EC) Number: 834-345-0
• DSSTox Substance ID: DTXSID50450238
• Nikkaji Number: J703.600K
• Wikidata: Q72510141
• Mol file: 143527-70-2.mol

Synonyms:143527-70-2;(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid;MFCD09263630;(4S,5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid;(4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid;trans-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid;143615-03-6;(4S,5R)-N-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic acid;SCHEMBL286796;DTXSID50450238;BCP13722;AKOS015838260;AKOS015888976;AC-8776;AM84394;DS-0461;(4S,5R)-3-[(tert-butoxy)carbonyl]-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid;(4S,5R)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-oxazolidine-5-carboxylic acid;B4127;CS-0002273;(4S,5R)-3-(tBoc)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic Acid;(4S,5R)-3-Boc-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic Acid;t-butyl (4s,5r)-5-carboxy-2,2-di-methyl-4-phenyloxazolidine-3-carboxylate;(4S,5R)-2,2-Dimethyl-4-phenyl-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl ester;(4S,5R)-2,2-Dimethyl-4-phenyloxazolidine-3,5-dicarboxylic acid 3-tert-butyl ester;(4S,5R)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic acid;3,5-Oxazolidinedicarboxylic acid,2,2-dimethyl-4-phenyl-,3-(1,1-dimethylethyl)ester,(4S,5R)-

Chemical Property of (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid

Chemical Property:

• Appearance/Colour: off-white semi solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 112.0 to 116.0 °C
• Refractive Index: 1.526
• Boiling Point: 459.009 °C at 760 mmHg
• PKA: 3.11±0.60(Predicted)
• Flash Point: 231.4 °C
• PSA: 76.07000
• Density: 1.178 g/cm³
• LogP: 3.12220
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 321.15762283
• Heavy Atom Count: 23
• Complexity: 462

Purity/Quality:

98%min ^*data from raw suppliers

(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(N(C(C(O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C
• Isomeric SMILES: CC1(N([C@H]([C@@H](O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C

Technology Process of (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid

There total 33 articles about (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid 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: 100.0%

ethyl (4S,5R)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylate (143527-74-6) → (4S,5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid (143615-03-6,143527-70-2)

Guidance literature:

With lithium hydroxide; water; In ethanol; at 20 ℃;

DOI:10.1016/S0040-4039(00)79128-3

Reference yield: 92.0%

(4S,5R)-2,2-Dimethyl-4-phenyl-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl ester 5-methyl ester (153652-71-2) → (4S,5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid (143615-03-6,143527-70-2)

Guidance literature:

With lithium hydroxide; In methanol; water; for 1h; Ambient temperature;

Reference yield: 70.0%

(4S,5S)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-vinyloxazolidine (174787-61-2) → (4S,5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid (143615-03-6,143527-70-2)

Guidance literature:

(4S,5S)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-vinyloxazolidine; With sodium hydrogencarbonate; In tetrachloromethane; water; acetonitrile; at 20 - 40 ℃; for 0.25h;

With sodium periodate; In tetrahydrofuran; tetrachloromethane; water; for 0.5h;

With ruthenium trichloride; In tetrahydrofuran; tetrachloromethane; water; at 20 - 40 ℃; for 36h;

upstream raw materials:

ethyl (4S,5R)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylate

(4S,5R)-2,2-Dimethyl-4-phenyl-oxazolidine-3,5-dicarboxylic acid 3-tert-butyl ester 5-methyl ester

(4S,5R)-5-Formyl-2,2-dimethyl-4-phenyl-oxazolidine-3-carboxylic acid tert-butyl ester

di-tert-butyl dicarbonate

Downstream raw materials:

C₅₁H₆₀Cl₃NO₁₇

C₅₄H₇₃NO₁₄S₂Si

4-deacetyl-7-(triethylsilyl)baccatin III 13-<(4S,5R)-3-(tert-butoxycarbonyl)-5-carboxyl-2,2-dimethyl-4-phenyl-1,3-oxazolidine>

10-deacetylbaccatin III-13-O-[(4S,5R)-4-phenyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-5-carboxylate]

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