4-Hydroxyisoquinoline

Base Information Edit

Chemical Name:4-Hydroxyisoquinoline
CAS No.:3336-49-0
Molecular Formula:C9H7 N O
Molecular Weight:145.161
Hs Code.:2933499090
European Community (EC) Number:687-912-8
NSC Number:153682
UNII:FSA7EJB9BG
DSSTox Substance ID:DTXSID20186976
Nikkaji Number:J1.131.858D
Mol file:3336-49-0.mol

Synonyms:isoquinolin-4-ol;4-Hydroxyisoquinoline;3336-49-0;4-ISOQUINOLINOL;4-Isoquinolol;33364-92-0;4-HYDROXY-ISOQUINOLINE;FSA7EJB9BG;MFCD00234514;NSC 153682;BRN 0114428;NSC-153682;5-21-03-00321 (Beilstein Handbook Reference);Oc1cncc2ccccc12;4-oxidoisoquinolinium;UNII-FSA7EJB9BG;D0S4PN;C-1205;SCHEMBL276819;AMY4404;DTXSID20186976;4-hydroxyisoquinoline, AldrichCPR;BCP23455;NSC153682;AKOS006280509;AB05248;CS-W019920;PS-5256;SB12152;LS-86159;SY041595;FT-0645218;FT-0651841;FT-0659691;A26437;EN300-120932;A821745;AC-907/25004895;J-019163;J-521570;Z1198152661

Suppliers and Price of 4-Hydroxyisoquinoline

Supply Marketing:Edit

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
4-?Isoquinolinol
500mg
$ 1000.00

TRC
4-?Isoquinolinol
250mg
$ 525.00

SynQuest Laboratories
4-Hydroxyisoquinoline
1 g
$ 111.00

SynQuest Laboratories
4-Hydroxyisoquinoline
250 mg
$ 32.00

Matrix Scientific
4-Hydroxyisoquinoline 95%
1g
$ 187.00

Matrix Scientific
4-Hydroxyisoquinoline 95%
5g
$ 772.00

Crysdot
Isoquinolin-4-ol 97+%
25g
$ 673.00

Crysdot
Isoquinolin-4-ol 97+%
10g
$ 347.00

ChemScene
isoquinolin-4-ol 97.01%
10g
$ 350.00

ChemScene
isoquinolin-4-ol 97.01%
5g
$ 210.00

Total 48 raw suppliers

Chemical Property of 4-Hydroxyisoquinoline Edit

Chemical Property:

Melting Point:223-225oC
Boiling Point:425.4°Cat760mmHg
PKA:5.25±0.40(Predicted)
Flash Point:211.1°C
PSA：33.12000
Density:1.26g/cm³
LogP:1.94040
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Deuterated Chloroform, Dichloromethane, Ehtyl Acetate
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:145.052763847
Heavy Atom Count:11
Complexity:138

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-?Isoquinolinol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=NC=C2O
Uses 4-?Isoquinolinol is a metabolite of Isoquinoline (I874930) and has a high anti-radical, hypnotic-sedative and myorelaxant activities. 4-?Isoquinolinol is also an impurity of 1-Phenyl-2,3-dihydroisoquinolin-4(1H)-one Hydrochloride (P309050), which is a useful synthetic intermediate in the synthesis of cis-Hydroxy Solifenacin (H953525) and cis-Hydroxy Solifenacin N-Oxide (H953485); both metabolites of Solifenacin (S676700, HCl) which is a muscarinic M3 receptor antagonist and is used in treatment of urinary incontinence.

Technology Process of 4-Hydroxyisoquinoline

There total 5 articles about 4-Hydroxyisoquinoline 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: 78.0%

: 1532-91-8
4-chloroisoquinoline

: 3336-49-0
4-isoquinolinol

Guidance literature:: With copper acetylacetonate; N¹-(4-hydroxy-2,6-dimethylphenyl)-N²-(4-hydroxy-3,5-dimethylphenyl)oxalamide; water; In water; dimethyl sulfoxide; at 130 ℃; for 24h; Schlenk technique; Inert atmosphere;
DOI:10.1021/jacs.6b08114