4-Nitrobenzoic acid [(2S)-3,3-dimethyloxirane-2beta-yl]methyl ester

Base Information

Chemical Name:4-Nitrobenzoic acid [(2S)-3,3-dimethyloxirane-2beta-yl]methyl ester
CAS No.:106268-98-8
Molecular Formula:C12H13 N O5
Molecular Weight:251.239
Hs Code.:2916399090
Nikkaji Number:J471.960C
Mol file:106268-98-8.mol

Synonyms:4-Nitrobenzoic acid [(2S)-3,3-dimethyloxirane-2beta-yl]methyl ester

Suppliers and Price of 4-Nitrobenzoic acid [(2S)-3,3-dimethyloxirane-2beta-yl]methyl ester

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

American Custom Chemicals Corporation
(2S)-(-)-3,3-DIMETHYLGLYCIDYL-4-NITROBENZOATE 95.00%
5MG
$ 500.69

Total 2 raw suppliers

Chemical Property of 4-Nitrobenzoic acid [(2S)-3,3-dimethyloxirane-2beta-yl]methyl ester

Chemical Property:

Boiling Point:378.3±17.0 °C(Predicted)
PSA：98.48000
Density:1.269±0.06 g/cm3(Predicted)
LogP:0.79140
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:251.07937252
Heavy Atom Count:18
Complexity:341

Purity/Quality:

99% ^*data from raw suppliers

(2S)-(-)-3,3-DIMETHYLGLYCIDYL-4-NITROBENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C
Isomeric SMILES:CC1([C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Technology Process of 4-Nitrobenzoic acid [(2S)-3,3-dimethyloxirane-2beta-yl]methyl ester

There total 6 articles about 4-Nitrobenzoic acid [(2S)-3,3-dimethyloxirane-2beta-yl]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: 65.0%

: 116347-29-6
[(2S)-3,3-dimethyloxiran-2-yl]methanol

: 122-04-3
4-nitro-benzoyl chloride

: 106268-98-8
(S)-(3,3-dimethyloxiran-2-yl)methyl 4-nitrobenzoate

Guidance literature:: With triethylamine; In dichloromethane;
DOI:10.1021/ja00178a071

Reference yield:

: 5369-62-0
(+/-)-3,3-dimethyloxirane-2-carboxaldehyde

: 106268-98-8
(S)-(3,3-dimethyloxiran-2-yl)methyl 4-nitrobenzoate

: 141700-91-6
[(2R)-3,3-dimethyloxiran-2-yl]methyl 4-nitrobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol; water / 0.5 h / 0 °C / Inert atmosphere

2: triethylamine; dmap / dichloromethane / 1.25 h / 0 - 20 °C / Inert atmosphere

With dmap; sodium tetrahydroborate; triethylamine; In methanol; dichloromethane; water;
DOI:10.1016/j.tetasy.2016.02.009

Reference yield:

: 18511-56-3
(3,3-dimethyloxiranyl)methanol

: 122-04-3
4-nitro-benzoyl chloride

: 106268-98-8
(S)-(3,3-dimethyloxiran-2-yl)methyl 4-nitrobenzoate

: 141700-91-6
[(2R)-3,3-dimethyloxiran-2-yl]methyl 4-nitrobenzoate

Guidance literature:: With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 1.25h; Inert atmosphere;
DOI:10.1016/j.tetasy.2016.02.009