Tert-butyl 2-chloro-5-nitrobenzoate

Base Information

Chemical Name:Tert-butyl 2-chloro-5-nitrobenzoate
CAS No.:55233-05-1
Molecular Formula:C11H12ClNO4
Molecular Weight:257.674
Hs Code.:2916399090
DSSTox Substance ID:DTXSID20444104
Nikkaji Number:J728.862J
Wikidata:Q82262115
Mol file:55233-05-1.mol

Synonyms:TERT-BUTYL 2-CHLORO-5-NITROBENZOATE;55233-05-1;t-butyl 2-chloro-5-nitrobenzoate;TERT-BUTYL2-CHLORO-5-NITROBENZOATE;SCHEMBL6759109;DTXSID20444104;UCERYJRYDLVOAD-UHFFFAOYSA-N;MFCD08703381;AKOS013153342;CS-0322934;FT-0768482;2-Chloro-5-nitrobenzoic acid tert-butyl ester

Suppliers and Price of Tert-butyl 2-chloro-5-nitrobenzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Labseeker
tert-butyl2-chloro-5-nitrobenzoate 95
25g
$ 3483.00

Crysdot
tert-Butyl2-chloro-5-nitrobenzoate 95+%
5g
$ 747.00

Chemcia Scientific
2-Chloro-5-nitro-benzoicacidtert-butylester ＞97%
5 G
$ 685.00

American Custom Chemicals Corporation
TERT-BUTYL-2-CHLORO-5-NITROBENZOATE 95.00%
5MG
$ 504.00

Total 7 raw suppliers

Chemical Property of Tert-butyl 2-chloro-5-nitrobenzoate

Chemical Property:

Boiling Point:343.3±22.0 °C(Predicted)
PSA：72.12000
Density:1.283±0.06 g/cm3(Predicted)
LogP:3.72670
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:257.0454856
Heavy Atom Count:17
Complexity:308

Purity/Quality:

98% ^*data from raw suppliers

tert-butyl2-chloro-5-nitrobenzoate 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 2-chloro-5-nitrobenzoate

There total 4 articles about Tert-butyl 2-chloro-5-nitrobenzoate 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: 85.0%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 865-47-4
potassium tert-butylate

: 55233-05-1
t-Butyl 2-chloro-5-nitrobenzoate

Guidance literature:: 2-chloro-5-nitrobenzoic acid; With thionyl chloride; N,N-dimethyl-formamide; In toluene; for 1.5h; Heating / reflux;

potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h;

Reference yield: 64.0%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

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

: 55233-05-1
t-Butyl 2-chloro-5-nitrobenzoate

Guidance literature:: With sulfuric acid; In dichloromethane; at 20 ℃; for 48h;
DOI:10.3109/00498259609046696

Reference yield:

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 55233-05-1
t-Butyl 2-chloro-5-nitrobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂, DMF / 1,2-dichloro-ethane / 14 h / Heating

2: tetrahydrofuran / 0.5 h / 0 °C

With thionyl chloride; N,N-dimethyl-formamide; In tetrahydrofuran; 1,2-dichloro-ethane;