5,6-Difluoro-2-methyl-1,2,3,4-tetrahydroquinoline

Base Information

Chemical Name:5,6-Difluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CAS No.:80076-46-6
Molecular Formula:C₁₀H₁₁F₂N
Molecular Weight:183.201
Hs Code.:
DSSTox Substance ID:DTXSID70444659
Nikkaji Number:J355.003F
Mol file:80076-46-6.mol

Synonyms:80076-46-6;5,6-difluoro-2-methyl-1,2,3,4-tetrahydroquinoline;5,6-Difluoro-1,2,3,4-tetrahydro-2-methylquinoline;SCHEMBL9598979;DTXSID70444659;MFCD20681385;PB47941;AS-83319;CS-0369579;FT-0750590;E82730

Suppliers and Price of 5,6-Difluoro-2-methyl-1,2,3,4-tetrahydroquinoline

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 37 raw suppliers

Chemical Property of 5,6-Difluoro-2-methyl-1,2,3,4-tetrahydroquinoline

Chemical Property:

Boiling Point:247.5±40.0oC (760 Torr)
PKA:4.40±0.40(Predicted)
Flash Point:103.5±27.3oC
PSA：12.03000
Density:1.139±0.06 g/cm3 (20oC 760 Torr)
LogP:2.84940
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:183.08595568
Heavy Atom Count:13
Complexity:186

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2=C(N1)C=CC(=C2F)F

Technology Process of 5,6-Difluoro-2-methyl-1,2,3,4-tetrahydroquinoline

There total 4 articles about 5,6-Difluoro-2-methyl-1,2,3,4-tetrahydroquinoline 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: 97.0%

: 131190-82-4
8-bromo-5,6-difluoro-2-methylquinoline

: 80076-46-6
(+/-)-5,6-difluoro-2-methyl-1,2,3,4-tetrahydroquinoline

Guidance literature:: With hydrogen; sodium acetate; palladium on activated charcoal; In acetic acid; at 50 ℃; under 760 - 3800 Torr;
DOI:10.1248/cpb.44.642

Reference yield:

: 3863-11-4
3,4-difluoroaniline

: 80076-46-6
(+/-)-5,6-difluoro-2-methyl-1,2,3,4-tetrahydroquinoline

Guidance literature:: Multi-step reaction with 4 steps

1.1: sulfuric acid / 0.5 h / 10 - 20 °C

2.1: acetic acid; bromine; sodium acetate / 60 - 80 °C

3.1: sodium 3-nitrobenzenesulfonate; ferrous(II) sulfate heptahydrate; boric acid; hydrogenchloride / water / 0.5 h / Reflux

3.2: 1 h / Reflux

4.1: palladium on activated carbon; acetic acid; sodium acetate / water / 50 °C

4.2: 6 h / 20 °C

With hydrogenchloride; ferrous(II) sulfate heptahydrate; sulfuric acid; palladium on activated carbon; bromine; sodium acetate; boric acid; acetic acid; sodium 3-nitrobenzenesulfonate; In water;
DOI:10.3390/molecules24081641

Reference yield:

: 458-11-7
3,4-difluoroacetanilide

: 80076-46-6
(+/-)-5,6-difluoro-2-methyl-1,2,3,4-tetrahydroquinoline

Guidance literature:: Multi-step reaction with 3 steps

1.1: acetic acid; bromine; sodium acetate / 60 - 80 °C

2.1: sodium 3-nitrobenzenesulfonate; ferrous(II) sulfate heptahydrate; boric acid; hydrogenchloride / water / 0.5 h / Reflux

2.2: 1 h / Reflux

3.1: palladium on activated carbon; acetic acid; sodium acetate / water / 50 °C

3.2: 6 h / 20 °C

With hydrogenchloride; ferrous(II) sulfate heptahydrate; palladium on activated carbon; bromine; sodium acetate; boric acid; acetic acid; sodium 3-nitrobenzenesulfonate; In water;
DOI:10.3390/molecules24081641