1,4-Dichloro-5,6,7,8-tetrahydrophthalazine

Base Information

• Chemical Name: 1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
• CAS No.: 67279-24-7
• Molecular Formula: C8H8Cl2N2
• Molecular Weight: 203.071
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70504666
• Nikkaji Number: J979.598G
• Wikidata: Q82359321
• Mol file: 67279-24-7.mol

Synonyms:1,4-Dichloro-5,6,7,8-tetrahydrophthalazine;67279-24-7;MFCD02940890;1,4-dichloro-5,6,7,8-tetrahydro-phthalazine;SCHEMBL587789;DTXSID70504666;KLFNXIXNWZZRLE-UHFFFAOYSA-N;AKOS022174578;AS-65358;SY114242;CS-0112752;FT-0742763;C76119;EN300-7418183;A867304;A1-03577;Z1269225524;1 pound not4-Dichloro-5 pound not6 pound not7 pound not8-tetrahydrophthalazine

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

Chemical Property:

• Vapor Pressure: 1.14E-05mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 381.2 °C at 760 mmHg
• Flash Point: 216.3 °C
• PSA: 25.78000
• Density: 1.385 g/cm³
• LogP: 2.66220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 202.0064537
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

1,4-Dichloro-5,6,7,8-tetrahydrophthalazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=NN=C2Cl)Cl
• Uses: 1,4-Dichloro-5,6,7,8-tetrahydronaphthalene can be used in organic synthesis and pharmaceutical intermediates.

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

There total 5 articles about 1,4-Dichloro-5,6,7,8-tetrahydrophthalazine 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: 92.0%

→ 1,4-dichloro-5,6,7,8-tetrahydrophthalazine (67279-24-7)

Guidance literature:

Reference yield: 87.3%

2,3,5,6,7,8-hexahydrophthalazine-1,4-dione (67279-23-6) → 1,4-dichloro-5,6,7,8-tetrahydrophthalazine (67279-24-7)

Guidance literature:

With trichlorophosphate; for 1h; Reflux;

Reference yield: 66.0%

1-(Trimethylsilyloxy)cyclohexene (6651-36-1) + 3,6-dichloro-1,2,4,5-tetrazine (106131-61-7) → 1,4-dichloro-5,6,7,8-tetrahydrophthalazine (67279-24-7)

Guidance literature:

In toluene; for 1h; Heating;

DOI:10.1016/S0040-4039(98)01186-1

upstream raw materials:

2,3,5,6,7,8-hexahydrophthalazine-1,4-dione

1-(Trimethylsilyloxy)cyclohexene

3,6-dichloro-1,2,4,5-tetrazine

3,4,5,6-Tetrahydrophthalic anhydride

Downstream raw materials:

1-chloro-4-(4-fluoro-benzyl)-5,6,7,8-tetrahydro-phthalazine

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

3-(1-(4-chlorophenyl)cyclopropyl)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine

N-(4-Morpholin-4-yl-5,6,7,8-tetrahydro-phthalazin-1-yl)-N'-[1-phenyl-meth-(E)-ylidene]-hydrazine