2,4,5-Trimethoxybenzonitrile

Base Information

Chemical Name:2,4,5-Trimethoxybenzonitrile
CAS No.:14894-77-0
Molecular Formula:C10H11NO3
Molecular Weight:193.202
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70358681
Nikkaji Number:J2.997.849B
Wikidata:Q82139434
ChEMBL ID:CHEMBL1312912
Mol file:14894-77-0.mol

Synonyms:2,4,5-Trimethoxybenzonitrile;14894-77-0;Benzonitrile,2,4,5-trimethoxy-;2,4,5-Trimethoxy-benzonitrile;MLS001049133;SCHEMBL1343373;CHEMBL1312912;DTXSID70358681;QYLMOMNYCPHSJW-UHFFFAOYSA-N;HMS2268J16;MFCD00017530;STL321198;AKOS001121483;AS-44273;SMR000386959;CS-0308526;FT-0609815;EN300-12330;J-507062;Z57900336

Suppliers and Price of 2,4,5-Trimethoxybenzonitrile

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
2,4,5-trimethoxybenzonitrile
100mg
$ 65.00

American Custom Chemicals Corporation
2,4,5-TRIMETHOXYBENZONITRILE 95.00%
5G
$ 1114.58

American Custom Chemicals Corporation
2,4,5-TRIMETHOXYBENZONITRILE 95.00%
2.5G
$ 932.60

American Custom Chemicals Corporation
2,4,5-TRIMETHOXYBENZONITRILE 95.00%
1G
$ 692.46

AK Scientific
2,4,5-Trimethoxybenzonitrile
2.5g
$ 664.00

Total 8 raw suppliers

Chemical Property of 2,4,5-Trimethoxybenzonitrile

Chemical Property:

Vapor Pressure:0.000133mmHg at 25°C
Melting Point:112-114 °C
Refractive Index:1.514
Boiling Point:333.8 °C at 760 mmHg
Flash Point:139.4 °C
PSA：51.48000
Density:1.15 g/cm³
LogP:1.58408
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:193.07389321
Heavy Atom Count:14
Complexity:223

Purity/Quality:

98%min ^*data from raw suppliers

2,4,5-trimethoxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=C(C=C1C#N)OC)OC

Technology Process of 2,4,5-Trimethoxybenzonitrile

There total 15 articles about 2,4,5-Trimethoxybenzonitrile 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: 86.0%

: 23149-33-9
1-iodo-2,4,5-trimethoxybenzene

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 14894-77-0
2,3,4-trimethoxybenzonitrile

Guidance literature:: With N,N,N,N,-tetramethylethylenediamine; copper diacetate; ammonium bicarbonate; at 150 ℃; for 22h; sealed tube;
DOI:10.1021/ol201713b

Reference yield: 85.0%

: 490-64-2
asaronic acid

: 55305-43-6
N-cyano-N-phenyl-p-toluenesulfonamide

: 14894-77-0
2,3,4-trimethoxybenzonitrile

Guidance literature:: With palladium(II) trifluoroacetate; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 120 ℃; for 3h;
DOI:10.1021/acs.joc.7b00033

Reference yield: 80.0%

: 23149-33-9
1-iodo-2,4,5-trimethoxybenzene

: ammonium bicarbonate

: 14894-77-0
2,3,4-trimethoxybenzonitrile

Guidance literature:: With copper(II) nitrate trihydrate; oxygen; silver carbonate; In N,N-dimethyl-formamide; at 150 ℃; for 24h; Schlenk technique;
DOI:10.1039/c3cc47926a