2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one

Base Information

Chemical Name:2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one
CAS No.:53921-72-5
Molecular Formula:C11H11NO
Molecular Weight:173.21
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80408722
Mol file:53921-72-5.mol

Synonyms:53921-72-5;2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one;2,3,8,8a-tetrahydrocyclopenta[ij]isoquinolin-7(1H)-one;5-Azatricyclo[6.3.1.0,4,12]dodeca-1(12),8,10-trien-2-one;5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one;2a,3,4,5-Tetrahydro-1H-3-azaacenaphthylen-1-one;2,3,8,8a-Tetrahydrocyclopenta[ij]isoquinolin-7-one;Oprea1_697917;F1371-0138;SCHEMBL2305931;DTXSID80408722;CQWOTKCLUYJOPP-UHFFFAOYSA-N;HMS1653E21;AKOS000320195;EN300-194503;Z199468224;5-azatricyclo[6.3.1.0?,??]dodeca-1(12),8,10-trien-2-one

Suppliers and Price of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one

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
2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one
25mg
$ 45.00

Matrix Scientific
2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one 95%+
1g
$ 263.00

Matrix Scientific
2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one 95%+
5g
$ 864.00

Matrix Scientific
2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one 95%+
2.500g
$ 571.00

American Custom Chemicals Corporation
2A,3,4,5-TETRAHYDRO-2H-3-AZA-ACENAPHTHYLEN-1-ONE 95.00%
5MG
$ 504.41

Total 2 raw suppliers

Chemical Property of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one

Chemical Property:

Boiling Point:327.3±41.0 °C(Predicted)
PKA:7.89±0.20(Predicted)
PSA：29.10000
Density:1.213±0.06 g/cm3(Predicted)
LogP:1.78860
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:173.084063974
Heavy Atom Count:13
Complexity:238

Purity/Quality:

NLT 98% ^*data from raw suppliers

2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC2CC(=O)C3=CC=CC1=C23

Technology Process of 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one

There total 4 articles about 2a,3,4,5-Tetrahydro-2H-3-aza-acenaphthylen-1-one 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%

: 105400-81-5
2-(1,2,3,4-tetrahydro-1-isoquinolinyl)acetic acid

: 53921-72-5
1,2,3,8a-tetrahydrocyclopentisoquinolin-7(8H)-one

Guidance literature:: 2-(1,2,3,4-tetrahydro-1-isoquinolinyl)acetic acid; With PPA; In 1,1,2,2-tetrachloroethane; at 150 ℃; for 0.75h; CEM Explorer microwave apparatus;

With ammonia; In water; 1,1,2,2-tetrachloroethane; at 0 ℃;

Reference yield:

: 3230-65-7
3,4-dihydroisoquinoline

: 53921-72-5
1,2,3,8a-tetrahydrocyclopentisoquinolin-7(8H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / 1 h / Heating

2: 79 percent / polyphosphoric acid / 1.25 h / Heating

With PPA;
DOI:10.1021/jo00380a024

Reference yield:

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

: 53921-72-5
1,2,3,8a-tetrahydrocyclopentisoquinolin-7(8H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) N-bromosuccinimide, 2.) aq. NaOH / 1.) CH₂Cl₂, 30 min, 2.) CH₂Cl₂, 25 deg C, 1 h

2: 88 percent / 1 h / Heating

3: 79 percent / polyphosphoric acid / 1.25 h / Heating

With sodium hydroxide; N-Bromosuccinimide; PPA;
DOI:10.1021/jo00380a024