tert-butyl 3-nitrobenzoate

Modify Date: 2024-01-15 10:12:38

tert-butyl 3-nitrobenzoate Structure
tert-butyl 3-nitrobenzoate structure
Common Name tert-butyl 3-nitrobenzoate
CAS Number 58656-99-8 Molecular Weight 223.22500
Density 1.201 g/cm3 Boiling Point 440ºC at 760 mmHg
Molecular Formula C11H13NO4 Melting Point N/A
MSDS N/A Flash Point 219.9ºC

 Names

Name tert-butyl 3-nitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.201 g/cm3
Boiling Point 440ºC at 760 mmHg
Molecular Formula C11H13NO4
Molecular Weight 223.22500
Flash Point 219.9ºC
Exact Mass 223.08400
PSA 72.12000
LogP 3.07330
Index of Refraction 1.531

 Safety Information

HS Code 2916399090

 Synthetic Route

~76%

tert-butyl 3-nitrobenzoate Structure

tert-butyl 3-ni...

CAS#:58656-99-8

Literature: Drewe, William C.; Nanjunda, Rupesh; Gunaratnam, Mekala; Beltran, Monica; Parkinson, Gary N.; Reszka, Anthony P.; Wilson, W. David; Neidle, Stephen Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 7751 - 7767

~92%

tert-butyl 3-nitrobenzoate Structure

tert-butyl 3-ni...

CAS#:58656-99-8

Literature: Park, Seung Bum; Standaert, Robert F. Tetrahedron Letters, 1999 , vol. 40, # 36 p. 6557 - 6560

~%

tert-butyl 3-nitrobenzoate Structure

tert-butyl 3-ni...

CAS#:58656-99-8

Literature: US5795887 A1, ; US 5795887 A

~86%

tert-butyl 3-nitrobenzoate Structure

tert-butyl 3-ni...

CAS#:58656-99-8

Literature: Meth-Cohn, Otto Journal of the Chemical Society, Chemical Communications, 1986 , # 9 p. 695 - 697

~%

tert-butyl 3-nitrobenzoate Structure

tert-butyl 3-ni...

CAS#:58656-99-8

Literature: Fish, Paul V.; Barber, Christopher G.; Brown, David G.; Butt, Richard; Collis, Michael G.; Dickinson, Roger P.; Henry, Brian T.; Horne, Valerie A.; Huggins, John P.; King, Elizabeth; O'Gara, Margaret; McCleverty, Dawn; McIntosh, Fraser; Phillips, Christopher; Webster, Robert Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2341 - 2351

~%

tert-butyl 3-nitrobenzoate Structure

tert-butyl 3-ni...

CAS#:58656-99-8

Literature: Journal of the American Chemical Society, , vol. 70, p. 2569,2571

~%

tert-butyl 3-nitrobenzoate Structure

tert-butyl 3-ni...

CAS#:58656-99-8

Literature: Journal of the Chemical Society, , p. 983

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

t-Butyl-m-nitrobenzoat
t-butyl 3-nitrobenzoate
3-Nitro-benzoesaeure-tert-butylester
3-nitrobenzoic acid tert-butyl ester
3-nitro-benzoic acid t-butyl ester
AB1298