(4-Nitrophenyl)methyl 4-hydroxybut-2-ynoate

Base Information

Chemical Name:(4-Nitrophenyl)methyl 4-hydroxybut-2-ynoate
CAS No.:95967-48-9
Molecular Formula:C11H9NO5
Molecular Weight:235.19300
Hs Code.:
DSSTox Substance ID:DTXSID20540352
Wikidata:Q82416345
Mol file:95967-48-9.mol

Synonyms:95967-48-9;(4-NITROPHENYL)METHYL 4-HYDROXYBUT-2-YNOATE;DTXSID20540352;VAKJUXLDEPARLJ-UHFFFAOYSA-N;4-nitrobenzyl 4-hydroxy-2-butinoate

Suppliers and Price of (4-Nitrophenyl)methyl 4-hydroxybut-2-ynoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of (4-Nitrophenyl)methyl 4-hydroxybut-2-ynoate

Chemical Property:

PSA：92.35000
LogP:1.15690
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:235.04807239
Heavy Atom Count:17
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1COC(=O)C#CCO)[N+](=O)[O-]

Technology Process of (4-Nitrophenyl)methyl 4-hydroxybut-2-ynoate

There total 1 articles about (4-Nitrophenyl)methyl 4-hydroxybut-2-ynoate 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:

: 6089-04-9
3-(tetrahydropyran-2'-yloxy)propyne

: 4457-32-3
4-nitrobenzyl chloroformate

: 95967-48-9
4-nitrobenzyl 4-hydroxy-2-butynoate

Guidance literature:: Yield given. Multistep reaction;
DOI:10.1016/S0040-4020(01)88797-4

Reference yield: 66.0%

: 95967-48-9
4-nitrobenzyl 4-hydroxy-2-butynoate

: 86823-92-9
(1R,5S)-3-phenyl-7-oxo-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-ene

: 95967-24-1
4-nitrobenzyl 4-<3(R)-benzoylamino-2-azetidinon-4(R)-yloxy>-2-butynoate

Guidance literature:: boron trifluoride diethyl etherate; In tetrahydrofuran; for 0.5h; Ambient temperature;
DOI:10.1016/S0040-4020(01)88797-4

Reference yield:

: 95967-48-9
4-nitrobenzyl 4-hydroxy-2-butynoate

: 87153-36-4
4-nitrobenzyl 4-<3(R)-benzoylamino-2-azetidinon-4(R)-yloxy>-acetoacetate

Guidance literature:: Multi-step reaction with 3 steps

1: 66 percent / boron trifluoride etherate / tetrahydrofuran / 0.5 h / Ambient temperature

2: triethylamine / tetrahydrofuran / 3 h / Ambient temperature

3: 1.) N-bromoacetamide; 2.) Na₂SO₃ / 1.) dioxane, H₂O, 0 deg C

With triethylamine; sodium sulfite; N-bromoacetamide; boron trifluoride diethyl etherate; In tetrahydrofuran;
DOI:10.1016/S0040-4020(01)88797-4