Chloromethyl (4-nitrophenyl)methyl carbonate

Base Information

Chemical Name:Chloromethyl (4-nitrophenyl)methyl carbonate
CAS No.:50780-46-6
Molecular Formula:C9H8ClNO5
Molecular Weight:245.619
Hs Code.:
DSSTox Substance ID:DTXSID50604310
Wikidata:Q82502176

Synonyms:Chloromethyl (4-nitrophenyl)methyl carbonate;50780-46-6;chloromethyl 4-nitrobenzyl carbonate;SCHEMBL10949489;DTXSID50604310;carbonic acid chloromethyl (4-nitrophenyl)-methyl ester

Suppliers and Price of Chloromethyl (4-nitrophenyl)methyl carbonate

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

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Chemical Property of Chloromethyl (4-nitrophenyl)methyl carbonate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:245.0091000
Heavy Atom Count:16
Complexity:247

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1COC(=O)OCCl)[N+](=O)[O-]

Technology Process of Chloromethyl (4-nitrophenyl)methyl carbonate

There total 1 articles about Chloromethyl (4-nitrophenyl)methyl 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: 61.0%

: 619-73-8
4-nitrobenzyl chloride

: 22128-62-7
carbonochloridic acid, chloromethyl ester

: 50780-46-6
((((p-nitrobenzyl)oxy)carbonyl)oxy)methyl chloride

Guidance literature:: In tetrahydrofuran; pyridine; diethyl ether; for 1h; Ambient temperature;
DOI:10.1021/ja00318a042

Reference yield: 37.0%

: 88670-15-9
tert-butyl 5-tetrazolylacetate

: 50780-46-6
((((p-nitrobenzyl)oxy)carbonyl)oxy)methyl chloride

: 88669-80-1
tert-butyl (2-(((((p-nitrobenzyl)oxy)carbonyl)oxy)methyl)tetrazol-5-yl)acetate

: 88669-76-5
tert-butyl (1-(((((p-nitrobenzyl)oxy)carbonyl)oxy)methyl)tetrazol-5-yl)acetate

Guidance literature:: With triethylamine; In acetonitrile; 1.) r.t., 16 h; 2.) 60 deg C, 1 h;
DOI:10.1021/ja00318a042

Reference yield:

: 50780-46-6
((((p-nitrobenzyl)oxy)carbonyl)oxy)methyl chloride

: 88669-87-8
(3S,4R)-3-<(R)-1-hydroxyethyl>-4-<2-oxo-3-diazo-(1-(((((p-nitrobenzyl)oxy)carbonyl)oxy)methyl)tetrazol-5-yl)propyl>azetidin-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: 37 percent / triethylamine / acetonitrile / 1.) r.t., 16 h; 2.) 60 deg C, 1 h

2: 1.) lithium triethylcarboxide / 1.) THF, hexane, -78 deg C, 10 min; 2.) dichloromethane, dimethylformamide, -78 deg C, 45 min

3: trifluoroacetic acid / CH₂Cl₂ / 6 h / Ambient temperature

4: 0.72 g / hydrofluoric acid / acetonitrile / 18 h / -10 °C

5: 0.302 g / p-dodecylbenzenesulfonylazide, triethylamine / hexane; CH₂Cl₂ / 1 h / -15 °C

With hydrogen fluoride; lithium 3-ethylpentan-3-olate; 4-dodecylbenzenesulphonyl azide; triethylamine; trifluoroacetic acid; In hexane; dichloromethane; acetonitrile;
DOI:10.1021/ja00318a042