Benzoic acid, 4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]-, methyl ester
CAS No.:105095-22-5
Molecular Formula:C16H13NO7
Molecular Weight:331.282
Hs Code.:
DSSTox Substance ID:DTXSID80455978
Wikidata:Q82278160

Synonyms:105095-22-5;Benzoic acid, 4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]-, methyl ester;SCHEMBL7365137;DTXSID80455978

Suppliers and Price of Benzoic acid, 4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]-, methyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid, 4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]-, methyl ester

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:331.06920175
Heavy Atom Count:24
Complexity:446

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Benzoic acid, 4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]-, methyl ester

There total 3 articles about Benzoic acid, 4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]-, 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: 88.0%

: 6908-41-4,58590-49-1
4-(methoxycarbonyl)benzyl alcohol

: 7693-46-1
4-Nitrophenyl chloroformate

: 105095-22-5
methyl 4-[(4-nitrophenoxy)carbonyloxymethyl]benzoate

Guidance literature:: With 4-methyl-morpholine; In dichloromethane; at 0 ℃; Inert atmosphere;

Reference yield: 50.0%

: 6908-41-4,58590-49-1
4-(methoxycarbonyl)benzyl alcohol

: 105095-22-5
methyl 4-[(4-nitrophenoxy)carbonyloxymethyl]benzoate

Guidance literature:

Reference yield:

: 3006-96-0
3-hydroxymethyl-benzoic acid

: 105095-22-5
methyl 4-[(4-nitrophenoxy)carbonyloxymethyl]benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / hydrochloric acid / 4 h / Heating

2: 80 percent / CH₂Cl₂ / 2 h

With hydrogenchloride; In dichloromethane;
DOI:10.1016/S0040-4020(97)10156-9