Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-

Base Information

Chemical Name:Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-
CAS No.:106268-97-7
Molecular Formula:C11H11 N O5
Molecular Weight:237.212
Hs Code.:2916399090
European Community (EC) Number:620-959-4
DSSTox Substance ID:DTXSID90147559
Nikkaji Number:J471.954I
Wikidata:Q83012902
Mol file:106268-97-7.mol

Synonyms:106268-97-7;(2S,3S)-trans-3-Methyloxirane-2-methyl 4-nitrobenzoate;Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-;[(2S,3S)-3-methyloxiran-2-yl]methyl 4-nitrobenzoate;BRN 6274744;3-Methyloxiranemethanol 4-nitrobenzoate (2S-trans)-;(2S,3S)-(-)-(2,3-Epoxybutylester)-4-nitrobenzoate;(2S,3S)-(-)-3-Methylglycidyl 4 nitrobenzoate;((2S,3S)-3-methyloxiran-2-yl)methyl 4-nitrobenzoate;SCHEMBL8941847;DTXSID90147559;AKOS015889217;LS-101063;J-001561;(?)-4-Nitrobenzenecarboxylic acid [[(2S)-3alpha-methyloxiran-2beta-yl]methyl] ester

Suppliers and Price of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-

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,3S)-TRANS-3-METHYLOXIRANE-2-METHYL 4-NITROBENZOATE 95.00%
1G
$ 666.77

AHH
(2S,3S)-(-)-3-Methylglycidyl4nitrobenzoate 97%
10g
$ 315.00

Total 7 raw suppliers

Chemical Property of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-

Chemical Property:

Vapor Pressure:4.69E-06mmHg at 25°C
Melting Point:103-105 °C
Refractive Index:1.5300 (estimate)
Boiling Point:382.6°Cat760mmHg
Flash Point:178.3°C
PSA：84.65000
Density:1.321g/cm³
LogP:2.06210
Storage Temp.:2-8°C
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:237.06372245
Heavy Atom Count:17
Complexity:306

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES:C[C@H]1[C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-

There total 2 articles about Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)- 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:

: 50468-21-8,26097-34-7
(2S,3S)-2,3-epoxy-1-butanol

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

: 106268-97-7
((2S,3S)-3-methyloxiran-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