2-Propenoic acid, 2-methyl-, thiiranylmethyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 2-methyl-, thiiranylmethyl ester
• CAS No.: 3139-91-1
• Deprecated CAS: 68601-49-0
• Molecular Formula: C7H10O2S
• Molecular Weight: 158.21800
• Hs Code.: 2916140000
• DSSTox Substance ID: DTXSID40883955
• Nikkaji Number: J421.658J
• Mol file: 3139-91-1.mol

Synonyms:2,3-epithiopropyl methacrylate

Chemical Property of 2-Propenoic acid, 2-methyl-, thiiranylmethyl ester

Chemical Property:

• Vapor Pressure: 0.0726mmHg at 25°C
• Boiling Point: 228.6oC at 760 mmHg
• Flash Point: 100.5oC
• PSA: 51.60000
• Density: 1.144g/cm3
• LogP: 1.22110
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 158.04015073
• Heavy Atom Count: 10
• Complexity: 165

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(=O)OCC1CS1

Technology Process of 2-Propenoic acid, 2-methyl-, thiiranylmethyl ester

There total 2 articles about 2-Propenoic acid, 2-methyl-, thiiranylmethyl 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: 98.0%

2,3-Epoxypropyl methacrylate (106-91-2,25067-05-4,98104-93-9) → 3-methacrylatopropyl-1,2-episulfide (3139-91-1,68601-49-0)

Guidance literature:

With sodium thiocyanide; In neat (no solvent); at 20 ℃; for 1.5h; Green chemistry;

DOI:10.1080/17415993.2014.958752

Reference yield:

→ 3-methacrylatopropyl-1,2-episulfide (3139-91-1,68601-49-0)

Guidance literature:

DOI:10.1007/BF00904044

Reference yield: 80.0%

3-methacrylatopropyl-1,2-episulfide (3139-91-1,68601-49-0) + phenylacetylene (536-74-3) → 2-mercapto-3-(4-phenyl-1H-1,2,3-triazol-1-yl)propyl methacrylate

Guidance literature:

With sodium azide; In water; at 60 ℃; for 2h; regioselective reaction; Green chemistry;

DOI:10.1039/d1ra01588e

upstream raw materials:

2,3-Epoxypropyl methacrylate

Refernces

• 1、 Nuretdinova,Arbuzov. "". . . Retrieved 1968.
• 2、 -. "(Meth) acrylic acid ester compound, the polymerizable composition containing the same, and (meth) acrylic polymer (by machine translation)". Paragraph 0050-0051. . Retrieved 2020/01/03.
• 3、 Eisavi, Ronak,Ahmadi, Fatemeh,Ebadzade, Behrooz,Ghadernejad, Seiran. "A green method for solvent-free conversion of epoxides to thiiranes using NH4SCN in the presence of NiFe2O4 and MgFe2O4 magnetic nanocatalysts". . p. 614 - 624. Retrieved 2017/10/03.