3-Ethyl-1,2,3,4-tetrahydroisoquinoline

Base Information

Chemical Name:3-Ethyl-1,2,3,4-tetrahydroisoquinoline
CAS No.:111422-13-0
Molecular Formula:C₁₁H₁₅N
Molecular Weight:161.247
Hs Code.:
European Community (EC) Number:873-179-3
ChEMBL ID:CHEMBL59994
DSSTox Substance ID:DTXSID20554595
Nikkaji Number:J1.120.260H
Mol file:111422-13-0.mol

Synonyms:3-ethyl-1,2,3,4-tetrahydroisoquinoline;111422-13-0;Isoquinoline, 3-ethyl-1,2,3,4-tetrahydro-;CHEMBL59994;3-Ethyl-1,2,3,4-tetrahydro-isoquinoline;SCHEMBL172636;DTXSID20554595;BDBM50023455;AKOS011659618;CS-0233875;EN300-136771;G58801;Z979717460

Suppliers and Price of 3-Ethyl-1,2,3,4-tetrahydroisoquinoline

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-Ethyl-1,2,3,4-tetrahydroisoquinoline
100mg
$ 240.00

TRC
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
50mg
$ 155.00

TRC
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
10mg
$ 45.00

AK Scientific
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
5g
$ 2053.00

AK Scientific
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
250mg
$ 370.00

Total 2 raw suppliers

Chemical Property of 3-Ethyl-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

Boiling Point:258.4±9.0 °C(Predicted)
PSA：12.03000
Density:0.949±0.06 g/cm3(Predicted)
LogP:2.43970
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:161.120449483
Heavy Atom Count:12
Complexity:144

Purity/Quality:

99% ^*data from raw suppliers

3-Ethyl-1,2,3,4-tetrahydroisoquinoline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1CC2=CC=CC=C2CN1

Technology Process of 3-Ethyl-1,2,3,4-tetrahydroisoquinoline

There total 5 articles about 3-Ethyl-1,2,3,4-tetrahydroisoquinoline 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: 94.0%

: 112794-32-8
1-oxo-3-ethyl-1,2,3,4-tetrahydroisoquinoline

: 111422-13-0
3-ethyl-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 18h; Heating;
DOI:10.1021/jm00399a024

Reference yield:

: 1007-32-5
benzyl ethyl ketone

: 111422-13-0
3-ethyl-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) ammonium formate, 2.) aq. HCl / 1.) 160 deg C, 48 h, 2.) reflux, 12 h

2: 9.40 g / K₂CO₃ / tetrahydrofuran / 2 h / Ambient temperature

3: 89 percent / polyphosphoric acid / 0.17 h / 140 °C

4: 94 percent / LiAlH₄ / tetrahydrofuran / 18 h / Heating

With hydrogenchloride; lithium aluminium tetrahydride; PPA; ammonium formate; potassium carbonate; In tetrahydrofuran;
DOI:10.1021/jm00399a024

Reference yield:

: 30543-88-5
1-benzylpropylamine

: 111422-13-0
3-ethyl-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: Multi-step reaction with 3 steps

1: 9.40 g / K₂CO₃ / tetrahydrofuran / 2 h / Ambient temperature

2: 89 percent / polyphosphoric acid / 0.17 h / 140 °C

3: 94 percent / LiAlH₄ / tetrahydrofuran / 18 h / Heating

With lithium aluminium tetrahydride; PPA; potassium carbonate; In tetrahydrofuran;
DOI:10.1021/jm00399a024