(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Formate

Base Information

• Chemical Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Formate
• CAS No.: 91526-17-9
• Molecular Formula: C6H6O5
• Molecular Weight: 158.111
• European Community (EC) Number: 618-762-3
• DSSTox Substance ID: DTXSID901242557
• Nikkaji Number: J2.715.893E
• Mol file: 91526-17-9.mol

Synonyms:91526-17-9;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Formate;4-forMyloxyMethyl-5-Methyl- 1,3-dioxolene-2-one;(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl formate;SCHEMBL741785;4-[(formyloxy)methyl]-5-methyl-1,3-Dioxol-2-one;DTXSID901242557;FT-0712994;Formic acid (5-methyl-2-oxo-1,3-dioxole-4-yl)methyl ester

Chemical Property of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Formate

Chemical Property:

• PSA: 69.65000
• LogP: 0.85010
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 158.02152329
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC(=O)O1)COC=O

Technology Process of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Formate

There total 6 articles about (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl Formate 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: 82.0%

formic acid (64-18-6) + 4-bromomethyl-1,3-dioxa-5-methylcyclopentene-2-one (80715-22-6) → 4-formyloxymethyl-5-methyl-1,3-dioxolen-2-one (91526-17-9)

Guidance literature:

With trimethylamine; In acetonitrile; at 20 ℃; for 1h;

Reference yield: 82.0%

4-bromomethyl-2-oxo-1,3-dioxolene (80715-25-9) → 4-formyloxymethyl-5-methyl-1,3-dioxolen-2-one (91526-17-9)

Guidance literature:

With formic acid; trimethylamine; In water; acetonitrile;

Reference yield:

4-bromomethyl-1,3-dioxa-5-methylcyclopentene-2-one (80715-22-6) → 4-formyloxymethyl-5-methyl-1,3-dioxolen-2-one (91526-17-9)

Guidance literature:

With formic acid; sodium hydrogencarbonate; triethylamine; sodium chloride; In water; acetonitrile;

upstream raw materials:

formic acid

4-bromomethyl-1,3-dioxa-5-methylcyclopentene-2-one

4-bromomethyl-2-oxo-1,3-dioxolene

4,5-Dimethyl-1,3-dioxole-2-one

Downstream raw materials:

4-hydroxymethyl-5-methyl-[1,3]dioxol-2-one

Refernces

• 1、 -. "MONOETHYLENICALLY UNSATURATED MONOMERS AND USES THEREOF". Paragraph 0293-0296. . Retrieved 2021/06/22.
• 2、 -. "Novel prodrugs for antimicrobial amidines". . . Retrieved 2008/06/13.