3-(Cyanomethyl)-2,4,5-trimethylthiophene

Base Information

Chemical Name:3-(Cyanomethyl)-2,4,5-trimethylthiophene
CAS No.:112440-49-0
Molecular Formula:C₉H₁₁NS
Molecular Weight:165.259
Hs Code.:29349990
European Community (EC) Number:679-630-9
DSSTox Substance ID:DTXSID20556256
Nikkaji Number:J254.941G
Wikidata:Q72458632
Mol file:112440-49-0.mol

Synonyms:112440-49-0;3-(Cyanomethyl)-2,4,5-trimethylthiophene;2-(2,4,5-Trimethylthiophen-3-yl)acetonitrile;SCHEMBL953974;DTXSID20556256;GVRRCQCZKOPGDZ-UHFFFAOYSA-N;MFCD00143113;TD8078;AKOS016013065;AC-28073;AS-66182;(2,4,5-Trimethylthiophen-3-yl)acetonitrile;3-(cyanomethyl)-2,4,5-trimethyl thiophene;C1228;3-(Cyanomethyl)-2,4,5-trimethylthiophene >98%;A802582

Suppliers and Price of 3-(Cyanomethyl)-2,4,5-trimethylthiophene

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
3-(Cyanomethyl)-2,4,5-trimethylthiophene
50mg
$ 60.00

TCI Chemical
3-(Cyanomethyl)-2,4,5-trimethylthiophene >98.0%(GC)
1g
$ 55.00

TCI Chemical
3-(Cyanomethyl)-2,4,5-trimethylthiophene >98.0%(GC)
5g
$ 270.00

SynQuest Laboratories
3-(Cyanomethyl)-2,4,5-trimethylthiophene 95%
1 g
$ 512.00

SynQuest Laboratories
3-(Cyanomethyl)-2,4,5-trimethylthiophene 95%
250 mg
$ 192.00

Crysdot
2-(2,4,5-Trimethylthiophen-3-yl)acetonitrile 97%
1g
$ 152.00

Crysdot
2-(2,4,5-Trimethylthiophen-3-yl)acetonitrile 97%
5g
$ 492.00

Chem-Impex
3-(Cyanomethyl)-2,4,5-trimethylthiophene,≥98%(GC) ≥98%(GC)
5G
$ 308.54

Chemenu
2-(2,4,5-Trimethylthiophen-3-yl)acetonitrile 97%
5g
$ 460.00

Arctom
2-(2,4,5-Trimethylthiophen-3-yl)acetonitrile 98%
1g
$ 66.00

Total 23 raw suppliers

Chemical Property of 3-(Cyanomethyl)-2,4,5-trimethylthiophene

Chemical Property:

Vapor Pressure:0.00369mmHg at 25°C
Melting Point:66°C
Refractive Index:1.543
Boiling Point:130°C 0,7mm
Flash Point:123.7°C
PSA：52.03000
Density:1.073g/cm³
LogP:2.73938
Storage Temp.:2-8°C
Solubility.:soluble in Methanol
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:165.06122053
Heavy Atom Count:11
Complexity:181

Purity/Quality:

98% ^*data from raw suppliers

3-(Cyanomethyl)-2,4,5-trimethylthiophene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(SC(=C1CC#N)C)C

Technology Process of 3-(Cyanomethyl)-2,4,5-trimethylthiophene

There total 3 articles about 3-(Cyanomethyl)-2,4,5-trimethylthiophene 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%

: 63826-43-7
2,3,5-trimethyl-4-(chloromethyl)thiophene

: 112440-49-0
3-(cyanomethyl)-2,4,5-trimethylthiophene

Guidance literature:: With N-benzyl-N,N,N-triethylammonium chloride; In water; for 1h; Heating;
DOI:10.1021/jo00239a022

Reference yield: 83.0%

: 143-33-9,25596-52-5
sodium cyanide

: 63826-43-7
2,3,5-trimethyl-4-(chloromethyl)thiophene

: 112440-49-0
3-(cyanomethyl)-2,4,5-trimethylthiophene

Guidance literature:: With tetrabutylammomium bromide; In water; for 1h; Heating;
DOI:10.1246/bcsj.78.1145

Reference yield:

: 1795-05-7
2,4,5-trimethylthiophene

: 112440-49-0
3-(cyanomethyl)-2,4,5-trimethylthiophene

Guidance literature:: Multi-step reaction with 2 steps

1: ZnCl₂ / CH₂Cl₂ / 1 h / 20 °C

2: 83 percent / Bu₄NBr / H₂O / 1 h / Heating

With tetrabutylammomium bromide; zinc(II) chloride; In dichloromethane; water;
DOI:10.1246/bcsj.78.1145