5,6,7,8-Tetrahydroquinoline-2-carbonitrile

Base Information

Chemical Name:5,6,7,8-Tetrahydroquinoline-2-carbonitrile
CAS No.:150459-78-2
Molecular Formula:C10H10N2
Molecular Weight:158.20000
Hs Code.:2933499090
European Community (EC) Number:817-577-7
DSSTox Substance ID:DTXSID30466059
Wikidata:Q82292446
Mol file:150459-78-2.mol

Synonyms:5,6,7,8-tetrahydroquinoline-2-carbonitrile;150459-78-2;2-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-;2-Cyano-5,6,7,8-tetrahydroquinoline;SCHEMBL2960628;DTXSID30466059;WLZ3312;HWVIKBAAKYHVHW-UHFFFAOYSA-N;MFCD12401010;AKOS022172216;AS-47958;CS-0102416;EN300-124845;F17116;Z1255436074

Suppliers and Price of 5,6,7,8-Tetrahydroquinoline-2-carbonitrile

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
5,6,7,8-tetrahydroquinoline-2-carbonitrile
50mg
$ 90.00

Crysdot
5,6,7,8-Tetrahydroquinoline-2-carbonitrile 95+%
1g
$ 510.00

Chemenu
5,6,7,8-tetrahydroquinoline-2-carbonitrile 95%
1g
$ 482.00

Chemcia Scientific
5,6,7,8-tetrahydroquinoline-2-carbonitrile ＞98%
0.5 G
$ 200.00

Alichem
5,6,7,8-Tetrahydroquinoline-2-carbonitrile
1g
$ 440.96

AK Scientific
5,6,7,8-Tetrahydroquinoline-2-carbonitrile
1g
$ 648.00

AK Scientific
5,6,7,8-Tetrahydroquinoline-2-carbonitrile
100mg
$ 597.00

AK Scientific
5,6,7,8-Tetrahydroquinoline-2-carbonitrile
10g
$ 3157.00

AccelPharmtech
5,6,7,8-tetrahydro-2-Quinolinecarbonitrile 97.00%
1G
$ 1940.00

Total 9 raw suppliers

Chemical Property of 5,6,7,8-Tetrahydroquinoline-2-carbonitrile

Chemical Property:

Boiling Point:297.8±40.0 °C(Predicted)
PKA:0.75±0.20(Predicted)
PSA：36.68000
Density:1.13±0.1 g/cm3(Predicted)
LogP:1.83208
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:158.084398327
Heavy Atom Count:12
Complexity:203

Purity/Quality:

99% ^*data from raw suppliers

5,6,7,8-tetrahydroquinoline-2-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC2=C(C1)C=CC(=N2)C#N

Technology Process of 5,6,7,8-Tetrahydroquinoline-2-carbonitrile

There total 2 articles about 5,6,7,8-Tetrahydroquinoline-2-carbonitrile 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: 78.0%

: 14631-48-2
5,6,7,8-tetrahydroquinoline N-oxide

: 7677-24-9
trimethylsilyl cyanide

: 150459-78-2
5,6,7,8,-tetrahydroquinoline-2-carbonitrile

Guidance literature:: With N,N-Dimethylcarbamoyl chloride; In dichloromethane; at 20 ℃;
DOI:10.1016/j.ejmech.2020.112958

Reference yield:

: 10500-57-9
5,6,7,8-tetrahydroquinoline

: 150459-78-2
5,6,7,8,-tetrahydroquinoline-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: m-CPBA / CH₂Cl₂ / 2 h / 20 °C

2: 31.1 g / Me₂NCOCl / CH₂Cl₂ / 10 h / 20 °C

With 3-chloro-benzenecarboperoxoic acid; N,N-Dimethylcarbamoyl chloride; In dichloromethane; 2: Reissert-Henze reaction;
DOI:10.3987/com-01-9375

Reference yield:

: 150459-78-2
5,6,7,8,-tetrahydroquinoline-2-carbonitrile

: (1aS,7bR)-3-Bromo-4-((R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxymethyl)-1a,2,3,7b-tetrahydro-1-oxa-7-aza-cyclopropa[a]naphthalene-6-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 12 steps

1.1: aq. hydrochloric acid / 2 h / Heating

2.1: 3.14 g / thionyl chloride / methanol / 6 h / Heating

3.1: 98 percent / concd. sulfuric acid; ammonium peroxydisulfate / H₂O / 2 h / Heating

4.1: 81 percent / sodium hydride / dimethylformamide / 0.25 h / 20 °C

5.1: m-CPBA / CH₂Cl₂ / 5 h / 20 °C

6.1: trifluoroacetic acid / tetrahydrofuran / 0.33 h / 20 °C

6.2: 1.83 g / sodium methoxide / methanol / 0.25 h

7.1: tetrahydrofuran / 1 h / 20 °C

7.2: 61 percent / benzene / 1 h / Heating

8.1: 4-phenylpyridine N-oxide; Jacobsen reagent; aq. sodium hypochlorite / CH₂Cl₂ / 2.5 h / 20 °C

9.1: NBS / 24 h / 20 °C

10.1: aq. acetic acid / 48 h / 20 °C

11.1: 88 percent / NaBH₄ / methanol / 0.25 h / 20 °C

12.1: 4-dimethylaminopyridine; triethylamine / CH₂Cl₂ / 0.25 h / 20 °C

With hydrogenchloride; dmap; sodium hypochlorite; sodium tetrahydroborate; ammonium persulfate; N-Bromosuccinimide; thionyl chloride; 4-Phenylpyridine 1-oxide; (S,S)-chloro[2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-[4,6-bis(1,1-dimethylethyl)phenolato]]^(2-)-N,N',O,O'-manganese; sulfuric acid; sodium hydride; acetic acid; triethylamine; 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; 6.1: Boekelheide rearrangement;
DOI:10.3987/com-01-9375