1,2,3,4-Tetrahydrophthalazine hydrochloride

Base Information

• Chemical Name: 1,2,3,4-Tetrahydrophthalazine hydrochloride
• CAS No.: 60789-87-9
• Molecular Formula: C8H11ClN2
• Molecular Weight: 134.1784
• NSC Number: 169891
• DSSTox Substance ID: DTXSID30209620
• Mol file: 60789-87-9.mol

Synonyms:1,2,3,4-tetrahydrophthalazine;1,2,3,4-tetrahydrophthalazine hydrochloride;THPhth

Chemical Property of 1,2,3,4-Tetrahydrophthalazine hydrochloride

Chemical Property:

• Boiling Point: 233.4°Cat760mmHg
• Flash Point: 99.9°C
• Density: 1.045g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 170.0610761
• Heavy Atom Count: 11
• Complexity: 99.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2=CC=CC=C2CNN1.Cl

Technology Process of 1,2,3,4-Tetrahydrophthalazine hydrochloride

There total 2 articles about 1,2,3,4-Tetrahydrophthalazine 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: 80.4%

2,3-dihydrophthalazine-1,4-dione (1445-69-8) → 1,2,3,4-tetrahydrophthalazine dihydrochloride (60789-87-9,86437-12-9)

Guidance literature:

2,3-dihydrophthalazine-1,4-dione; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

With hydrogenchloride; In ethanol; dichloromethane;

Reference yield:

phthalic anhydride (85-44-9) → 1,2,3,4-tetrahydrophthalazine dihydrochloride (60789-87-9,86437-12-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; hydrazine hydrate / water / 3 h / 20 - 95 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; hydrazine hydrate; acetic acid; In tetrahydrofuran; water;

Reference yield: 95.0%

1,2,3,4-tetrahydrophthalazine hydrochloride (60789-87-9) + 4-Bromophenyl isothiocyanate (1985-12-2) → 2--1,2,3,4-tetrahydrophthalazin (156760-99-5)

Guidance literature:

With sodium hydroxide; 1.) water, 2.) water, acetone, 140 min, RT;

upstream raw materials:

phthalic anhydride

2,3-dihydrophthalazine-1,4-dione

Downstream raw materials:

1-nitro-7,12-dihydro-phthalazino[2,3-b]phthalazine-5,14-dione

[(S)-2-(3,4-Dihydro-1H-phthalazin-2-yl)-1-methyl-2-oxo-ethyl]-carbamic acid benzyl ester

[(S)-1-(3,4-Dihydro-1H-phthalazine-2-carbonyl)-2-methyl-propyl]-carbamic acid benzyl ester

2-<(N-Phenyl)thiocarbamoyl>-1,2,3,4-tetrahydrophthalazin