1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline

Base Information

Chemical Name:1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline
CAS No.:5414-45-9
Molecular Formula:C16H16 Cl N
Molecular Weight:257.763
Hs Code.:2933499090
NSC Number:10567
DSSTox Substance ID:DTXSID40278903
Wikidata:Q82011102
Mol file:5414-45-9.mol

Synonyms:5414-45-9;1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline;NSC10567;SCHEMBL4357989;DTXSID40278903;NSC 10567;NSC-10567;AKOS003961555

Suppliers and Price of 1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline

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

Total 5 raw suppliers

Chemical Property of 1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline

Chemical Property:

Vapor Pressure:8.88E-07mmHg at 25°C
Boiling Point:405.3°Cat760mmHg
Flash Point:198.9°C
PSA：3.24000
Density:1.184g/cm³
LogP:4.35780
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:257.0971272
Heavy Atom Count:18
Complexity:260

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=CC=CC=C2N(C1)CC3=CC=C(C=C3)Cl

Technology Process of 1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline

There total 4 articles about 1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline 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: 89.0%

: 91-22-5
quinoline

: 104-88-1
4-chlorobenzaldehyde

: 5414-45-9
N-(4-chlorobenzyl)-1,2,3,4-tetrahydroquinaldine

Guidance literature:: With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (meta-(trifluoromethyl)phenyl)boronic acid; In 1,2-dichloro-ethane; at 60 ℃; for 12h;
DOI:10.1021/acs.orglett.1c00302

Reference yield:

: 104-88-1
4-chlorobenzaldehyde

: 1780-19-4
1,2,3,4-tetrahydro-2-methylquinoline

: 5414-45-9
N-(4-chlorobenzyl)-1,2,3,4-tetrahydroquinaldine

Guidance literature:: With potassium acetate; In water; acetic acid; at 40 ℃; for 18h;
DOI:10.1021/om400267n

Reference yield:

: 91-63-4
2-methylquinoline

: 5414-45-9
N-(4-chlorobenzyl)-1,2,3,4-tetrahydroquinaldine

Guidance literature:: Multi-step reaction with 2 steps

1: (7,8-benzoquinolinato)hydrido(aqua)bis(triphenylphosphine)iridium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen / toluene / 18 h / 20 °C / 760.05 Torr

2: potassium acetate / water; acetic acid / 18 h / 40 °C

With (7,8-benzoquinolinato)hydrido(aqua)bis(triphenylphosphine)iridium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen; potassium acetate; In water; acetic acid; toluene;
DOI:10.1021/om400267n