4-(Benzyloxy)-3-cyanobenzoic acid

Base Information

Chemical Name:4-(Benzyloxy)-3-cyanobenzoic acid
CAS No.:946007-61-0
Molecular Formula:C15H11 N O3
Molecular Weight:253.257
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90587810
Wikidata:Q72442198
Mol file:946007-61-0.mol

Synonyms:4-(benzyloxy)-3-cyanobenzoic acid;946007-61-0;3-cyano-4-phenylmethoxybenzoic acid;4-Benzyloxy-3-cyano-benzoicacid;SCHEMBL5026568;DTXSID90587810;4-(benzyloxy)-3-cyanobenzoicacid;AKOS015891486;Benzoicacid,3-cyano-4-(phenylmethoxy)-;DB-014369

Suppliers and Price of 4-(Benzyloxy)-3-cyanobenzoic acid

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

Crysdot
4-(Benzyloxy)-3-cyanobenzoicacid 95+%
1g
$ 432.00

Alichem
4-(Benzyloxy)-3-cyanobenzoicacid
1g
$ 383.68

Total 9 raw suppliers

Chemical Property of 4-(Benzyloxy)-3-cyanobenzoic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:464.043oC at 760 mmHg
Flash Point:234.445oC
PSA：70.32000
Density:1.311g/cm3
LogP:2.83548
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:253.07389321
Heavy Atom Count:19
Complexity:354

Purity/Quality:

97% ^*data from raw suppliers

4-(Benzyloxy)-3-cyanobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)C#N

Technology Process of 4-(Benzyloxy)-3-cyanobenzoic acid

There total 5 articles about 4-(Benzyloxy)-3-cyanobenzoic acid 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: 93.0%

: 1042333-73-2
benzyl 4-(benzyloxy)-3-cyanobenzoate

: 946007-61-0
4-(benzyloxy)-3-cyanobenzoic acid

Guidance literature:: benzyl 4-(benzyloxy)-3-cyanobenzoate; With sodium hydroxide; water; In methanol; at 20 ℃; for 2h;

With hydrogenchloride; In water; pH=2;

Reference yield: 75.0%

: 171050-06-9
3-cyano-4-fluorobenzoic acid

: 100-51-6,185532-71-2
benzyl alcohol

: 946007-61-0
4-(benzyloxy)-3-cyanobenzoic acid

Guidance literature:: With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 4h;
DOI:10.1021/jm061462b

Reference yield:

: 218301-22-5
2-fluoro-5-formylbenzonitrile

: 946007-61-0
4-(benzyloxy)-3-cyanobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / aq. H₂O₂; aq. NaClO₂; aq. KH₂PO₄ / acetonitrile / 2 h / 0 °C

2: 75 percent / NaH / dimethylsulfoxide / 4 h / 20 °C

With sodium chlorite; potassium dihydrogenphosphate; dihydrogen peroxide; sodium hydride; In dimethyl sulfoxide; acetonitrile;
DOI:10.1021/jm061462b