2-(3-Methyloxetan-3-YL)acetonitrile

Base Information

Chemical Name:2-(3-Methyloxetan-3-YL)acetonitrile
CAS No.:117452-93-4
Molecular Formula:C₆H₉NO
Molecular Weight:111.144
Hs Code.:
European Community (EC) Number:831-801-0
DSSTox Substance ID:DTXSID10597198
Wikidata:Q82492700
Mol file:117452-93-4.mol

Synonyms:2-(3-METHYLOXETAN-3-YL)ACETONITRILE;117452-93-4;3-OXETANEACETONITRILE, 3-METHYL-;MFCD09842438;SCHEMBL1257740;DTXSID10597198;(3-Methyloxetan-3-yl)acetonitrile;2-(3-Methyl-3-oxetanyl)acetonitrile;AKOS006310135;AS-41704;SY219107;DB-112654;CS-0133585;EN300-317819

Suppliers and Price of 2-(3-Methyloxetan-3-YL)acetonitrile

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-(3-Methyloxetan-3-yl)acetonitrile
25mg
$ 65.00

Matrix Scientific
2-(3-Methyl-3-oxetanyl)acetonitrile
1g
$ 540.00

Matrix Scientific
2-(3-Methyl-3-oxetanyl)acetonitrile
10g
$ 1764.00

Matrix Scientific
2-(3-Methyl-3-oxetanyl)acetonitrile
5g
$ 1260.00

Crysdot
2-(3-Methyloxetan-3-yl)acetonitrile 97%
1g
$ 550.00

Chemenu
2-(3-Methyloxetan-3-yl)acetonitrile 95+%
1g
$ 519.00

American Custom Chemicals Corporation
2-(3-METHYLOXETAN-3-YL)ACETONITRILE 95.00%
5MG
$ 504.10

Alichem
2-(3-Methyloxetan-3-yl)acetonitrile
1g
$ 731.16

AK Scientific
2-(3-Methyloxetan-3-YL)acetonitrile
250mg
$ 432.00

Total 4 raw suppliers

Chemical Property of 2-(3-Methyloxetan-3-YL)acetonitrile

Chemical Property:

Boiling Point:203.0±13.0 °C(Predicted)
PSA：33.02000
Density:0.997±0.06 g/cm3(Predicted)
LogP:0.93658
XLogP3:0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:111.068413911
Heavy Atom Count:8
Complexity:129

Purity/Quality:

99%, ^*data from raw suppliers

2-(3-Methyloxetan-3-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(COC1)CC#N

Technology Process of 2-(3-Methyloxetan-3-YL)acetonitrile

There total 3 articles about 2-(3-Methyloxetan-3-YL)acetonitrile 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: 99.0%

: 773837-37-9
sodium cyanide

: 78385-26-9
3-bromomethyl-3-methyloxetane

: 117452-93-4
[3-(hydromethyl)oxetan-3-yl]acetonitrile

Guidance literature:: In ethanol; at 80 ℃;

Reference yield:

: 3143-02-0
3-hydroxymethyl-3-methyloxethane

: 117452-93-4
[3-(hydromethyl)oxetan-3-yl]acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 1 h / 0 °C / Inert atmosphere

2: N,N-dimethyl-formamide / 16 h / 80 °C / Inert atmosphere

With triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/anie.201408905