5-Methoxy-1-methyl-2-(n-propylamino)tetralin

Base Information

Chemical Name:5-Methoxy-1-methyl-2-(n-propylamino)tetralin
CAS No.:85379-09-5
Molecular Formula:C₁₅H₂₃NO
Molecular Weight:233.354
Hs Code.:2922299090
DSSTox Substance ID:DTXSID1043889
Nikkaji Number:J227.633J
Wikidata:Q27074361
Pharos Ligand ID:UWNP5VMBZRYW
Metabolomics Workbench ID:63161
ChEMBL ID:CHEMBL27441
Mol file:85379-09-5.mol

Synonyms:5-methoxy-1-methyl-2-(n-propylamino)tetralin;AJ 76;AJ-76

Suppliers and Price of 5-Methoxy-1-methyl-2-(n-propylamino)tetralin

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
AJ-76
10mg
$ 115.00

ApexBio Technology
(+)-AJ76hydrochloride
10mg
$ 257.00

ApexBio Technology
(+)-AJ76hydrochloride
50mg
$ 1083.00

American Custom Chemicals Corporation
(+)-AJ 76 HYDROCHLORIDE 95.00%
100MG
$ 1686.30

American Custom Chemicals Corporation
(+)-AJ 76 HYDROCHLORIDE 95.00%
10MG
$ 716.10

Total 9 raw suppliers

Chemical Property of 5-Methoxy-1-methyl-2-(n-propylamino)tetralin

Chemical Property:

Vapor Pressure:6.23E-05mmHg at 25°C
Boiling Point:345.3°Cat760mmHg
Flash Point:145.9°C
PSA：21.26000
Density:1g/cm³
LogP:4.30600
Storage Temp.:Store at RT
Solubility.:Soluble to 10 mM in H2O
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:233.177964357
Heavy Atom Count:17
Complexity:231

Purity/Quality:

99%, ^*data from raw suppliers

AJ-76 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCNC1CCC2=C(C1C)C=CC=C2OC
Isomeric SMILES:CCCN[C@@H]1CCC2=C([C@@H]1C)C=CC=C2OC
Uses (+)-AJ 76 Hydrochloride was used in asymmetric synthesis of methoxymethyl(di-n-propylamino)tetralin hydrochloride.

Technology Process of 5-Methoxy-1-methyl-2-(n-propylamino)tetralin

There total 16 articles about 5-Methoxy-1-methyl-2-(n-propylamino)tetralin 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:

: [5-Methoxy-1-methyl-3,4-dihydro-1H-naphthalen-(2E)-ylidene]-propyl-amine

: 90295-53-7
cis-5-methoxy-1-methyl-2-(n-propylamino)tetralin

: 90295-51-5,106499-55-2,85378-71-8,85378-78-5,85379-09-5,90295-53-7,106499-56-3
(+/-)-trans-5-methoxy-1-methyl-2-(α-propylamino)tetralin

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr; Title compound not separated from byproducts;
DOI:10.1021/jm00374a012

Reference yield:

: 42263-75-2
1-methyl-5-methoxy-2-tetralone

: 90295-51-5,106499-55-2,85378-71-8,85378-78-5,85379-09-5,90295-53-7,106499-56-3
(+/-)-trans-5-methoxy-1-methyl-2-(α-propylamino)tetralin

Guidance literature:: Multi-step reaction with 2 steps

1: TsOH*H₂O / benzene / 24 h / Heating

2: H₂ / 10percent Pd/C / ethanol / 760 Torr

With hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In ethanol; benzene;
DOI:10.1021/jm00374a012