4-Benzyl-1-bromoisoquinolin-3-amine

Base Information

Chemical Name:4-Benzyl-1-bromoisoquinolin-3-amine
CAS No.:13130-81-9
Molecular Formula:C16H13BrN2
Molecular Weight:313.197
Hs Code.:2933499090
DSSTox Substance ID:DTXSID60350558
Wikidata:Q82126575
Mol file:13130-81-9.mol

Synonyms:4-benzyl-1-bromoisoquinolin-3-amine;13130-81-9;3-Isoquinolinamine, 1-bromo-4-(phenylmethyl)-;Oprea1_531064;DTXSID60350558;MFCD00102151;AKOS015912186;FT-0617641;W-205339

Suppliers and Price of 4-Benzyl-1-bromoisoquinolin-3-amine

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

American Custom Chemicals Corporation
4-BENZYL-1-BROMOISOQUINOLIN-3-AMINE 95.00%
5G
$ 1632.36

American Custom Chemicals Corporation
4-BENZYL-1-BROMOISOQUINOLIN-3-AMINE 95.00%
1G
$ 863.48

AK Scientific
4-Benzyl-1-bromoisoquinolin-3-amine
100mg
$ 246.00

Total 6 raw suppliers

Chemical Property of 4-Benzyl-1-bromoisoquinolin-3-amine

Chemical Property:

Vapor Pressure:8.16E-10mmHg at 25°C
Melting Point:155 °C
Refractive Index:1.705
Boiling Point:491.7°Cat760mmHg
PKA:2.04±0.50(Predicted)
Flash Point:251.2°C
PSA：38.91000
Density:1.459g/cm³
LogP:4.75150
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:312.02621
Heavy Atom Count:19
Complexity:291

Purity/Quality:

98%Min ^*data from raw suppliers

4-BENZYL-1-BROMOISOQUINOLIN-3-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2=C(N=C(C3=CC=CC=C32)Br)N

Technology Process of 4-Benzyl-1-bromoisoquinolin-3-amine

There total 1 articles about 4-Benzyl-1-bromoisoquinolin-3-amine 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:

: 13130-81-9
4-benzyl-1-bromo-isoquinolin-3-amine

Guidance literature:: α-Benzyl-2-cyan-benzylcyanid (Ic; =2-(2'-Cyanphenyl)-3-phenyl-propionitril), E., trockener HBr (0grad);

Reference yield: 80.0%

: 13130-81-9
4-benzyl-1-bromo-isoquinolin-3-amine

: 122-51-0
orthoformic acid triethyl ester

: 1332695-21-2
(E)-ethyl N-1-bromo-4-benzylisoquinolin-3-ylformimidate

Guidance literature:: 4-benzyl-1-bromo-isoquinolin-3-amine; orthoformic acid triethyl ester; With toluene-4-sulfonic acid; at 130 ℃; for 16h;

With sodium hydrogencarbonate; In water;
DOI:10.1016/j.tetlet.2011.07.143

Reference yield: 73.0%

: 5570-19-4
2-nitrophenylboronic acid

: 13130-81-9
4-benzyl-1-bromo-isoquinolin-3-amine

: 1452824-39-3
4-benzyl-1-(2-nitrophenyl)isoquinolin-3-amine

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In water; toluene; at 95 ℃; for 12h; Inert atmosphere;
DOI:10.1016/j.tetlet.2013.07.106