(S)-4-(Hydroxymethyl)oxazolidin-2-one

Base Information

• Chemical Name: (S)-4-(Hydroxymethyl)oxazolidin-2-one
• CAS No.: 144542-44-9
• Molecular Formula: C4H7NO3
• Molecular Weight: 117.104
• European Community (EC) Number: 840-940-6
• Nikkaji Number: J1.838.523F
• Mol file: 144542-44-9.mol

Synonyms:(S)-4-(HYDROXYMETHYL)OXAZOLIDIN-2-ONE;144542-44-9;(4s)-4-(hydroxymethyl)-1,3-oxazolidin-2-one;2-Oxazolidinone, 4-(hydroxymethyl)-, (4S)-;(R)-4-(Hydroxymethyl)-2-oxazolidinone;SCHEMBL962003;MEXGFDVEUOGVFI-VKHMYHEASA-N;AMY21700;AKOS027335649;AS-65606;CS-0067476;F50345;(4S)-4-(hydroxymethyl)-1,3-oxazolidine-2-one;EN300-6478013;A926831;Z1203731623

Chemical Property of (S)-4-(Hydroxymethyl)oxazolidin-2-one

Chemical Property:

• Boiling Point: 430.6±14.0 °C(Predicted)
• PKA: 12.11±0.40(Predicted)
• PSA: 58.56000
• Density: 1.288±0.06 g/cm3(Predicted)
• LogP: -0.58410
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 117.042593085
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

97% ^*data from raw suppliers

(S)-4-(Hydroxymethyl)oxazolidin-2-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NC(=O)O1)CO
• Isomeric SMILES: C1[C@@H](NC(=O)O1)CO

Technology Process of (S)-4-(Hydroxymethyl)oxazolidin-2-one

There total 6 articles about (S)-4-(Hydroxymethyl)oxazolidin-2-one 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: 90.0%

(R)-2-oxo-oxazolidine-4-carboxylic acid methyl ester (144542-43-8) → (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (144542-44-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at -5 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja907931u

Reference yield: 77.0%

(S)-(-)-4-acetoxymethyl-2-oxazolidinone (503001-47-6) → (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (144542-44-9)

Guidance literature:

With CAL B; In phosphate buffer; at 30 ℃; for 24h; Enzymatic reaction;

DOI:10.1016/S0957-4166(02)00547-5

Reference yield:

4-Hydroxymethyl oxazolidin-2-one (15546-08-4) → (4R)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (132682-23-6) + (4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one (144542-44-9)

Guidance literature:

In isopropyl alcohol; Heating;

DOI:10.1016/j.tetasy.2004.03.038

upstream raw materials:

(S)-(-)-4-acetoxymethyl-2-oxazolidinone

4-Hydroxymethyl oxazolidin-2-one

(R)-2-oxo-oxazolidine-4-carboxylic acid methyl ester

(S)-4-methoxycarbonyl-oxazolidin-2-one

Downstream raw materials:

C₂₂H₃₇NO₄Si

(R)-4-(((tert-butyldiphenylsilanyl)oxy)methyl)oxazolidin-2-one

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