1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine

Base Information

• Chemical Name: 1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine
• CAS No.: 202823-67-4
• Molecular Formula: C10H10Cl2N2
• Molecular Weight: 229.109
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20423499
• Wikidata: Q82235729
• Mol file: 202823-67-4.mol

Synonyms:202823-67-4;1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine;MFCD01075667;3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene;5,8-Ethanophthalazine, 1,4-dichloro-5,6,7,8-tetrahydro-;SCHEMBL1787799;DTXSID20423499;GZIFYLGNTOAIJJ-UHFFFAOYSA-N;AKOS015962598;AS-70032;SY106529;FT-0606861;E86656;8-AMINO-1,5-NAPHTHALENEDISULFONICACIDMONOSODIUMSALT;3,6-dichloro-4,5-diazatricyclo[6.2.2.0?,?]dodeca-2(7),3,5-triene;3,6-DICHLORO-4,5-DIAZATRICYCLO[6.2.2.0(2),?]DODECA-2(7),3,5-TRIENE

Chemical Property of 1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Melting Point: 208-211oC
• Boiling Point: 343.7oC at 760 mmHg
• Flash Point: 192.3oC
• PSA: 25.78000
• Density: 1.404g/cm3
• LogP: 3.53820
• Water Solubility.: Insoluble in water.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 228.0221037
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

1,4-DICHLORO-5,6,7,8-TETRAHYDRO-5,8-ETHANOPHTHALAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCC1C3=C2C(=NN=C3Cl)Cl
• Uses: 1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine is used as pharmaceutical intermediate.

Technology Process of 1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine

There total 6 articles about 1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine 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: 95.0%

2,3,5,6,7,8-hexahydro-5,8-ethanophthalazine-1,4-dione (202823-65-2) → 3,6-dichloro-4,5-diazatricyclo[6.2.2.2,7]dodeca-2(7),3,5-triene (202823-67-4)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 5h;

Reference yield:

cyclohexa-1,3-diene (1165952-91-9) → 3,6-dichloro-4,5-diazatricyclo[6.2.2.2,7]dodeca-2(7),3,5-triene (202823-67-4)

Guidance literature:

Multi-step reaction with 6 steps

1.1: tetrahydrofuran / 18 h / 60 °C

2.1: palladium on activated charcoal; hydrogen / ethyl acetate / 2 h

3.1: sodium hydroxide; water / methanol / 8 h / 60 °C

3.2: pH 1

4.1: acetic anhydride / 1.5 h / 100 °C

5.1: hydrazine hydrate; acetic acid; sodium acetate / 16 h / 100 °C

6.1: trichlorophosphate / 5 h / 110 °C

With palladium on activated charcoal; water; hydrogen; sodium acetate; acetic anhydride; hydrazine hydrate; acetic acid; sodium hydroxide; trichlorophosphate; In tetrahydrofuran; methanol; ethyl acetate;

Reference yield:

dimethyl bicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate (950-65-2) → 3,6-dichloro-4,5-diazatricyclo[6.2.2.2,7]dodeca-2(7),3,5-triene (202823-67-4)

Guidance literature:

Multi-step reaction with 5 steps

1.1: palladium on activated charcoal; hydrogen / ethyl acetate / 2 h

2.1: sodium hydroxide; water / methanol / 8 h / 60 °C

2.2: pH 1

3.1: acetic anhydride / 1.5 h / 100 °C

4.1: hydrazine hydrate; acetic acid; sodium acetate / 16 h / 100 °C

5.1: trichlorophosphate / 5 h / 110 °C

With palladium on activated charcoal; water; hydrogen; sodium acetate; acetic anhydride; hydrazine hydrate; acetic acid; sodium hydroxide; trichlorophosphate; In methanol; ethyl acetate;

upstream raw materials:

2,3,5,6,7,8-hexahydro-5,8-ethanophthalazine-1,4-dione

cyclohexa-1,3-diene

dimethyl bicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate

2,3-bis(methoxycarbonyl)-bicyclo(2.2.2)oct-2-ene

Downstream raw materials:

6-chloro-3-phenyl-7,8,9,10-tetrahydro-(7,10-ethano)-1,2,4-triazolo[3,4-a]phthalazine

6-chloro-3-(2-fluorophenyl)-7,8,9,10-tetrahydro-7,10-ethano[1,2,4]triazolo[3,4-a]phthalazine

6-chloro-3-(3-methylphenyl)-7,8,9,10-tetrahydro-7,10-ethano[1,2,4]triazolo[3,4-a]phthalazine

6-chloro-3-(2-methoxyphenyl)-7,8,9,10-tetrahydro-7,10-ethano[1,2,4]triazolo[3,4-a]phthalazine