3-(Fluoromethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Base Information

Chemical Name:3-(Fluoromethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CAS No.:780820-78-2
Molecular Formula:C₁₀H₁₁FN₂O₃S
Molecular Weight:258.273
Hs Code.:
DSSTox Substance ID:DTXSID50441500
Mol file:780820-78-2.mol

Synonyms:780820-78-2;3-(FLUOROMETHYL)-1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE;3-(fluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;DTXSID50441500;AB43843;FT-0644876;A839331;Bromochloro-5,5-dimethylimidazolidine-2,4-dione (BCDMH);3-(Fluoromethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-7sulfonamide

Suppliers and Price of 3-(Fluoromethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

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
3-(FLUOROMETHYL)-1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE 97.00%
1G
$ 808.50

AHH
3-(Fluoromethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-7sulfonamide 98%
1g
$ 478.00

Total 6 raw suppliers

Chemical Property of 3-(Fluoromethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Chemical Property:

Density:1.402g/cm³
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:258.04744155
Heavy Atom Count:17
Complexity:406

Purity/Quality:

97% ^*data from raw suppliers

3-(FLUOROMETHYL)-1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(NC(=O)C2=C1C=CC(=C2)S(=O)(=O)N)CF

Technology Process of 3-(Fluoromethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

There total 4 articles about 3-(Fluoromethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide 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: 87.0%

: 247050-23-3
(+/-)-7-chlorosulfonyl-3-fluoromethyl-3,4-dihydroisoquinolin-1(2H)-one

: 247050-26-6,780820-78-2
(+/-)-7-aminosulfonyl-3-fluoromethyl-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:: With ammonium hydroxide; In acetonitrile;
DOI:10.1021/jm990045e

Reference yield:

: 247050-21-1
(+/-)-3-fluoromethyl-3,4-dihydroisoquinolin-1(2H)-one

: 247050-26-6,780820-78-2
(+/-)-7-aminosulfonyl-3-fluoromethyl-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / chlorosulfonic acid / 16 h / 50 °C

2: 87 percent / NH₄OH / acetonitrile

With chlorosulfonic acid; ammonium hydroxide; In acetonitrile; 1: Chlorosulfonylation / 2: Condensation;
DOI:10.1021/jm990045e

Reference yield:

: 245107-67-9
(+/-)-methyl N-(1-fluoro-3-phenylprop-2-yl)carbamate

: 247050-26-6,780820-78-2
(+/-)-7-aminosulfonyl-3-fluoromethyl-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 55 percent / polyphosphoric acid / 2 h / 130 °C

2: 65 percent / chlorosulfonic acid / 16 h / 50 °C

3: 87 percent / NH₄OH / acetonitrile

With chlorosulfonic acid; ammonium hydroxide; PPA; In acetonitrile; 1: Cyclization / 2: Chlorosulfonylation / 3: Condensation;
DOI:10.1021/jm990045e