(5-Methyl-2-oxo-1,3-dioxol-4-YL)methyl 4-nitrophenyl carbonate

Base Information Edit

Chemical Name:(5-Methyl-2-oxo-1,3-dioxol-4-YL)methyl 4-nitrophenyl carbonate
CAS No.:173604-87-0
Molecular Formula:C12H9NO8
Molecular Weight:295.205
Hs Code.:
DSSTox Substance ID:DTXSID201177579
Mol file:173604-87-0.mol

Synonyms:173604-87-0;(5-METHYL-2-OXO-1,3-DIOXOL-4-YL)METHYL 4-NITROPHENYL CARBONATE;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (4-nitrophenyl) Carbonate;SCHEMBL393557;DTXSID201177579;BCP24831;E71580;A903143;(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 4-nitrophenyl carbonate;carbonic acid 5-methyl-2-oxo-[1,3]dioxol-4-ylmethyl ester 4-nitro-phenyl ester;carbonic acid 5-methyl-2-oxo-[1,3]dioxol4-ylmethyl ester 4-nitro-phenyl ester

Suppliers and Price of (5-Methyl-2-oxo-1,3-dioxol-4-YL)methyl 4-nitrophenyl carbonate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 18 raw suppliers

Chemical Property of (5-Methyl-2-oxo-1,3-dioxol-4-YL)methyl 4-nitrophenyl carbonate Edit

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.575
Boiling Point:434.798 °C at 760 mmHg
Flash Point:197.768 °C
PSA：124.70000
Density:1.492 g/cm³
LogP:2.68820
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:295.03281625
Heavy Atom Count:21
Complexity:472

Purity/Quality:: 99.50% ^*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)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of (5-Methyl-2-oxo-1,3-dioxol-4-YL)methyl 4-nitrophenyl carbonate

There total 4 articles about (5-Methyl-2-oxo-1,3-dioxol-4-YL)methyl 4-nitrophenyl carbonate 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: 81.0%

4-Hydroxymethyl-5-methyl-1,3-doxolene-2-one: 4-Hydroxymethyl-5-methyl-1,3-doxolene-2-one

: 7693-46-1
4-Nitrophenyl chloroformate

: 5070-13-3
bis-(p-nitrophenyl) carbonate

: 173604-87-0
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-nitrophenyl carbonate

Guidance literature:: With pyridine; hydrogenchloride; In sodium hydroxide; chloroform;

Reference yield: 81.0%

: 91526-18-0
4-hydroxymethyl-5-methyl-[1,3]dioxol-2-one

: 7693-46-1
4-Nitrophenyl chloroformate

: 173604-87-0
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-nitrophenyl carbonate

Guidance literature:: With pyridine; In chloroform; for 16h; Ambient temperature;
DOI:10.1021/jm9506175

Reference yield:

: 80841-78-7
4-chloromethyl-5-methyl-1,3-dioxol-2-one

: 173604-87-0
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-nitrophenyl carbonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: formic acid / acetonitrile / 0.08 h / 20 °C

1.2: 8 h / 0 - 60 °C

1.3: 2 h / 20 °C

2.1: pyridine / chloroform / 0.08 h / 0 °C

2.2: 18 h / 20 °C

With pyridine; formic acid; In chloroform; acetonitrile;