3-Methoxybenzylisocyanide

Base Information

Chemical Name:3-Methoxybenzylisocyanide
CAS No.:177762-74-2
Molecular Formula:C9H9NO
Molecular Weight:147.177
Hs Code.:
European Community (EC) Number:673-571-2
DSSTox Substance ID:DTXSID10374825
Nikkaji Number:J757.867I
Wikidata:Q82163391
Mol file:177762-74-2.mol

Synonyms:3-Methoxybenzylisocyanide;177762-74-2;1-(isocyanomethyl)-3-methoxybenzene;3-methoxybenzyl isocyanide;DTXSID10374825;CHA76274;3-methoxybenzylisocyanide, AldrichCPR;AKOS006276334;GS-0330;EN300-1856974

Suppliers and Price of 3-Methoxybenzylisocyanide

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
3-METHOXYBENZYL ISOCYANIDE 95.00%
5MG
$ 501.99

Total 2 raw suppliers

Chemical Property of 3-Methoxybenzylisocyanide

Chemical Property:

PSA：9.23000
LogP:1.34520
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:147.068413911
Heavy Atom Count:11
Complexity:158

Purity/Quality:

97% ^*data from raw suppliers

3-METHOXYBENZYL ISOCYANIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)C[N+]#[C-]

Technology Process of 3-Methoxybenzylisocyanide

There total 2 articles about 3-Methoxybenzylisocyanide 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: 85.0%

: 180208-01-9
N-(3-methoxybenzyl)formamide

: 177762-74-2
1-(isocyanomethyl)-3-methoxybenzene

Guidance literature:: With triethylamine; trichlorophosphate; In dichloromethane; for 0.0666667h; Cooling with ice; Green chemistry;
DOI:10.1039/d0gc02722g

Reference yield:

: 5071-96-5
3-METHOXYBENZYLAMINE

: 177762-74-2
1-(isocyanomethyl)-3-methoxybenzene

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / 4 h / 0 - 20 °C

2: 1.) POCl₃, Et₃N, 2.) aq. Na₂CO₃ / 1.) CH₂Cl₂, 0 deg C, 1 h, 2.) CH₂Cl₂, 1 h

With sodium carbonate; triethylamine; trichlorophosphate;
DOI:10.1021/jm960070+

Reference yield: 68.0%

: 6299-25-8
4,6-Dichloro-2-(methylthio)pyrimidine

: 177762-74-2
1-(isocyanomethyl)-3-methoxybenzene

: 7-chloro-1-(3-methoxyphenyl)-5-(methylsulfanyl)imidazo[1,5-c]pyrimidine

Guidance literature:: 1-(isocyanomethyl)-3-methoxybenzene; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃;

4,6-Dichloro-2-(methylthio)pyrimidine; In N,N-dimethyl-formamide; for 5h;
DOI:10.3987/COM-16-13616