Tert-butyl 2-bromo-2-(2-nitrophenyl)acetate

Base Information

Chemical Name:Tert-butyl 2-bromo-2-(2-nitrophenyl)acetate
CAS No.:158078-62-7
Molecular Formula:C₁₂H₁₄BrNO₄
Molecular Weight:316.151
Hs Code.:
DSSTox Substance ID:DTXSID501240759
Nikkaji Number:J1.536.898E

Synonyms:tert-butyl 2-bromo-2-(2-nitrophenyl)acetate;158078-62-7;SCHEMBL8330910;JUXJMAGTVHTGCK-UHFFFAOYSA-N;DTXSID501240759;t-butyl 2-bromo-2-(2-nitrophenyl)acetate;1,1-Dimethylethyl alpha-bromo-2-nitrobenzeneacetate;alpha-Bromo-2-nitrobenzeneacetic acid tert-butyl ester

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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 Tert-butyl 2-bromo-2-(2-nitrophenyl)acetate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:315.01062
Heavy Atom Count:18
Complexity:321

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Tert-butyl 2-bromo-2-(2-nitrophenyl)acetate

There total 3 articles about Tert-butyl 2-bromo-2-(2-nitrophenyl)acetate 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: 64.0%

: 98911-33-2
2-(2-Nitrophenyl)essigsaeure-tert-butylester

: 158078-62-7
tert-butyl 2-bromo-2-(2-nitrophenyl)acetate

Guidance literature:: With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; Reflux;
DOI:10.1021/ja411082f

Reference yield:

: 3740-52-1
2-(2-nitrophenyl)acetic acid

: 158078-62-7
tert-butyl 2-bromo-2-(2-nitrophenyl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / BF₃*Et₂O / CH₂Cl₂ / Ambient temperature

2: N-bromosuccinimide, benzoyl peroxide / CCl₄ / 48 h / Heating

With N-Bromosuccinimide; Perbenzoic acid; boron trifluoride diethyl etherate; In tetrachloromethane; dichloromethane;
DOI:10.1016/S0960-894X(97)00199-6