Oxirane-2beta-propionic acid methyl ester

Base Information

• Chemical Name: Oxirane-2beta-propionic acid methyl ester
• CAS No.: 85428-31-5
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• DSSTox Substance ID: DTXSID30447101
• Nikkaji Number: J1.046.110C
• Wikidata: Q82265894

Synonyms:85428-31-5;CTK3C8796;Oxirane-2beta-propionic acid methyl ester;SCHEMBL17407789;DTXSID30447101;XCRNWWBUCYZWRL-YFKPBYRVSA-N;MFCD31720297;methyl (S)-3-(oxiran-2-yl)propanoate;(2S)-2-Oxiranepropanoic acid methyl ester

Chemical Property of Oxirane-2beta-propionic acid methyl ester

Chemical Property:

• PSA: 38.83000
• LogP: 0.33840
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1CO1
• Isomeric SMILES: COC(=O)CC[C@H]1CO1

Technology Process of Oxirane-2beta-propionic acid methyl ester

There total 1 articles about Oxirane-2beta-propionic acid methyl ester 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:

(5S)-5-(hydroxymethyl)-2-oxo-tetrahydrofuran (32780-06-6) → 3-(S)-oxiranyl-propionic acid methyl ester (85428-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe

With sodium methylate;

DOI:10.1021/ol051200o

Reference yield: 85.0%

3-(S)-oxiranyl-propionic acid methyl ester (85428-31-5) → (R)-5-methyl-2-oxotetrahydrofuran (58917-25-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; sodium iodide; In 1,2-dimethoxyethane; for 2h; Heating;

DOI:10.1016/S0040-4020(01)80118-6

Reference yield: 30.0%

trans-2-propenyl bromide (590-15-8) + 3-(S)-oxiranyl-propionic acid methyl ester (85428-31-5) → (S)-((E)-5-But-2-enyl)-dihydro-furan-2-one

Guidance literature:

With lithium;

DOI:10.1021/ol051200o

upstream raw materials:

(5S)-5-(hydroxymethyl)-2-oxo-tetrahydrofuran

Downstream raw materials:

(R)-5-methyl-2-oxotetrahydrofuran

(R)-4-dodecanolide

(4R)-2-(phenylselenyl)-6-methyl-8-(tert-butyldimethylsilyloxy)oct-6-en-4-olide

(3R)-4-methyl-3-[(5-methylene-2-phenyl-1,3-dioxan-4-yl)methyl]-1-{5-[(2E)-2-methyl-4-oxobut-2-enyl]-2-oxo-2,5-dihydrofuran-3-yl}pent-4-enyl acetate

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