TDIQ (hydrochloride)

Base Information

• Chemical Name: TDIQ (hydrochloride)
• CAS No.: 15052-05-8
• Molecular Formula: C10H11 N O2 . Cl H
• Molecular Weight: 213.664
• NSC Number: 112981
• UNII: N2NE2TM9ZF
• DSSTox Substance ID: DTXSID00933985
• Wikipedia: TDIQ
• Wikidata: Q7669839
• Mol file: 15052-05-8.mol

Synonyms:15052-05-8;TDIQ (hydrochloride);NSC-112981;N2NE2TM9ZF;2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride;1,3-Dioxolo[4,5-g]isoquinoline,5,6,7,8-tetrahydro-, hydrochloride (1;TDIQ;SCHEMBL915241;DTXSID00933985;DOJLHSBHORQYDE-UHFFFAOYSA-N;NSC112981;AKOS004907223;WLN: T C566 DO FO KM EH&&TJ &GH;Q7669839;1,5-g]isoquinoline, 5,6,7,8-tetrahydro-, hydrochloride;5,6,7,8-Tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline HCl Salt;Isoquinoline,7-methylenedioxy-1,2,3,4-tetrahydro-, hydrochloride;1,3-DIOXOLO(4,5-G)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-, HYDROCHLORIDE (1:1)

Chemical Property of TDIQ (hydrochloride)

Chemical Property:

• Vapor Pressure: 0.000345mmHg at 25°C
• Boiling Point: 319.2oC at 760 mmHg
• Flash Point: 121.1oC
• PSA: 30.49000
• LogP: 2.19180
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

5,?6,?7,?8-?Tetrahydro-1,?3-?Dioxolo[4,?5-?g]?isoquinolineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=CC3=C(C=C21)OCO3.Cl
• Description: TDIQ (hydrochloride) is an analytical reference standard that is classified as a phenylalkylamine. It is related in structure to amphetamines but does not appear to affect locomotor activity. TDIQ is a partial agonist of α2A-, α2B-, and α2C-adrenergic receptors (Kis = 75, 95, and 65 nM, respectively) but has low affinity for dopamine or serotonin receptors and does not affect catecholamine release in rodent brain synaptosomes. Drug discrimination studies in rats indicate that it can serve as a discriminative stimulus, generalizing to cocaine (Item Nos. 16186, ISO60176) and partially to 3,4-MDMA (Item Nos. 13971, ISO60190) and methcathinone , but not to amphetamine (Item Nos. 15797, 15650). TDIQ has also been shown to exhibit anxiolytic and anorectic effects in rodent models. This product is intended for forensic and research purposes.
• Uses: 5,?6,?7,?8-?Tetrahydro-1,?3-?Dioxolo[4,?5-?g]?isoquinoline Hydrochloride is an intermediate in synthesizing (+/-)-β-Hydrastine (H675690), an inhibitor of Dopamine biosynthesis.

Technology Process of TDIQ (hydrochloride)

There total 3 articles about TDIQ (hydrochloride) 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:

Bis(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)methane → 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline; hydrochloride (15052-05-8)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; at 20 ℃; for 18h;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) → 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline; hydrochloride (15052-05-8)

Guidance literature:

at 130 ℃; im Rohr;

Reference yield:

→ 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline; hydrochloride (15052-05-8)

Guidance literature:

upstream raw materials:

formaldehyd

Refernces