2-Nitro-4-(tert-butyloxycarbonyl)benzeneacetic acid tert-butyl ester

Base Information

Chemical Name:2-Nitro-4-(tert-butyloxycarbonyl)benzeneacetic acid tert-butyl ester
CAS No.:444667-12-3
Molecular Formula:C₁₇H₂₃NO₆
Molecular Weight:337.373
Hs Code.:
DSSTox Substance ID:DTXSID701150071
Nikkaji Number:J1.698.317I

Synonyms:DTXSID701150071;2-Nitro-4-(tert-butyloxycarbonyl)benzeneacetic acid tert-butyl ester;1,1-Dimethylethyl 4-[(1,1-dimethylethoxy)carbonyl]-2-nitrobenzeneacetate;444667-12-3

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Chemical Property of 2-Nitro-4-(tert-butyloxycarbonyl)benzeneacetic acid tert-butyl ester

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:337.15253745
Heavy Atom Count:24
Complexity:483

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)[N+](=O)[O-]

Technology Process of 2-Nitro-4-(tert-butyloxycarbonyl)benzeneacetic acid tert-butyl ester

There total 6 articles about 2-Nitro-4-(tert-butyloxycarbonyl)benzeneacetic acid tert-butyl 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: 57.0%

: 444667-11-2
2-(4-carboxy-2-nitrophenyl)-acetic acid

: 115-11-7,15220-85-6
isobutene

: 444667-12-3
t-Butyl α-[4-(t-butoxycarbonyl)-2-nitrophenyl]-acetate

Guidance literature:: With sulfuric acid; In chloroform; at 20 ℃;
DOI:10.1002/1099-0690(200203)2002:6<1037::AID-EJOC1037>3.0.CO;2-4

Reference yield: 57.0%

: 444667-11-2
2-(4-carboxy-2-nitrophenyl)-acetic acid

: 75-65-0
tert-butyl alcohol

: 444667-12-3
t-Butyl α-[4-(t-butoxycarbonyl)-2-nitrophenyl]-acetate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In tetrachloromethane; at 0 ℃; for 0.5h;
DOI:10.1002/1099-0690(200203)2002:6<1037::AID-EJOC1037>3.0.CO;2-4

Reference yield:

: 99-75-2
4-methyl-benzoic acid methyl ester

: 444667-12-3
t-Butyl α-[4-(t-butoxycarbonyl)-2-nitrophenyl]-acetate

Guidance literature:: Multi-step reaction with 5 steps

1: 86 percent / Br₂ / benzene / 2 h / Irradiation

2: 74 percent / ethanol; H₂O / 3 h / Heating

3: 87 percent / sulfuric acid / H₂O / 5 °C

4: 70 percent / nitric acid; sulfuric acid / 3 h / 20 °C

5: 57 percent / 4-dimethylaminopyridin; N,N-dicyclohexylcarbodiimide / CCl₄ / 0.5 h / 0 °C

With dmap; sulfuric acid; bromine; nitric acid; dicyclohexyl-carbodiimide; In tetrachloromethane; ethanol; water; benzene;
DOI:10.1002/1099-0690(200203)2002:6<1037::AID-EJOC1037>3.0.CO;2-4