tert-Butyl 2-[4-(cyanomethyl)phenoxy]acetate

Base Information

Chemical Name:tert-Butyl 2-[4-(cyanomethyl)phenoxy]acetate
CAS No.:124499-21-4
Molecular Formula:C14H17NO3
Molecular Weight:247.29000
Hs Code.:2926909090
DSSTox Substance ID:DTXSID30567313
Wikidata:Q82453161
Mol file:124499-21-4.mol

Synonyms:124499-21-4;tert-Butyl 2-[4-(cyanomethyl)phenoxy]acetate;tert-butyl 2-(4-(cyanomethyl)phenoxy)acetate;(4-CYANOMETHYL-PHENOXY)-ACETIC ACID TERT-BUTYL ESTER;tert-Butyl [4-(cyanomethyl)phenoxy]acetate;SCHEMBL7593611;DTXSID30567313;AJEWOLARWFGZSH-UHFFFAOYSA-N;ZEA49921;MFCD22375028;AKOS027254237;AS-40250;tert-butyl2-(4-(cyanomethyl)phenoxy)acetate;p-(t-butoxycarbonylmethoxy)-phenylacetonitrile;EN300-252492;Acetic acid, 2-[4-(cyanomethyl)phenoxy]-, 1,1-dimethylethyl ester

Suppliers and Price of tert-Butyl 2-[4-(cyanomethyl)phenoxy]acetate

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

TRC
tert-Butyl2-[4-(Cyanomethyl)phenoxy]acetate
100mg
$ 60.00

Crysdot
tert-Butyl2-(4-(cyanomethyl)phenoxy)acetate 95+%
5g
$ 489.00

Alichem
tert-Butyl2-[4-(cyanomethyl)phenoxy]acetate
5g
$ 815.14

Alichem
tert-Butyl2-[4-(cyanomethyl)phenoxy]acetate
1g
$ 248.32

Total 2 raw suppliers

Chemical Property of tert-Butyl 2-[4-(cyanomethyl)phenoxy]acetate

Chemical Property:

Boiling Point:366.6±22.0 °C(Predicted)
PSA：59.32000
Density:1.095±0.06 g/cm3(Predicted)
LogP:2.47318
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:247.12084340
Heavy Atom Count:18
Complexity:316

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

tert-Butyl2-[4-(Cyanomethyl)phenoxy]acetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)COC1=CC=C(C=C1)CC#N

Technology Process of tert-Butyl 2-[4-(cyanomethyl)phenoxy]acetate

There total 1 articles about tert-Butyl 2-[4-(cyanomethyl)phenoxy]acetate 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: 81.0%

: 5292-43-3
bromoacetic acid tert-butyl ester

: 14191-95-8
4-cyanomethylphenol

: 124499-21-4
p-(t-butoxycarbonylmethoxy)-phenylacetonitrile

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 40 ℃; for 16h;
DOI:10.1002/cbic.201600337

Reference yield:

: 124499-21-4
p-(t-butoxycarbonylmethoxy)-phenylacetonitrile

: 124499-19-0
tert-butyl 4-(2-aminoethyl)phenoxyacetate

Guidance literature:: With sodium tetrahydroborate; In tetrahydrofuran; methanol; for 0.166667h; Yield given;
DOI:10.1021/jm00169a015

Reference yield:

: 124499-21-4
p-(t-butoxycarbonylmethoxy)-phenylacetonitrile

: 127258-43-9
(4-{2-[6-Amino-9-((3aR,4R,6S,6aS)-6-ethylcarbamoyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-9H-purin-2-ylamino]-ethyl}-phenoxy)-acetic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: aq. CoCl₂, NaBH₄ / tetrahydrofuran; methanol / 0.17 h

2: 3 h / 130 °C

With sodium tetrahydroborate; In tetrahydrofuran; methanol;
DOI:10.1021/jm00169a015