3-Methyl-1-phenylhexahydropyridazine

Base Information

• Chemical Name: 3-Methyl-1-phenylhexahydropyridazine
• CAS No.: 39998-48-6
• Molecular Formula: C₁₁H₁₆N₂
• Molecular Weight: 176.261
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40502952
• Mol file: 39998-48-6.mol

Synonyms:3-METHYL-1-PHENYLHEXAHYDROPYRIDAZINE;39998-48-6;3-methyl-1-phenyldiazinane;3-METHYL-1-PHENYL-1,2-DIAZINANE;CHEMBRDG-BB 4010074;DTXSID40502952;AKOS006281012;3-Methyl-1-phenylhexahydropyridazine, AldrichCPR

Chemical Property of 3-Methyl-1-phenylhexahydropyridazine

Chemical Property:

• Vapor Pressure: 0.0125mmHg at 25°C
• Boiling Point: 260.1°C at 760 mmHg
• PKA: 6.85±0.40(Predicted)
• Flash Point: 118°C
• PSA: 15.27000
• Density: 0.991g/cm³
• LogP: 2.57370
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98% ^*data from raw suppliers

3-methyl-1-phenylhexahydropyridazinehydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCN(N1)C2=CC=CC=C2

Technology Process of 3-Methyl-1-phenylhexahydropyridazine

There total 1 articles about 3-Methyl-1-phenylhexahydropyridazine 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:

→ 1-phenyl-3-methylhexahydropyridazine (39998-48-6)

Guidance literature:

/BRN= 144751/ (1e), LiAlH4;

Reference yield: 70.0%

phenyl isothiocyanate (103-72-0) + 1-phenyl-3-methylhexahydropyridazine (39998-48-6) → 1-phenylthiocarbamoyl-2-phenyl-6-methylhexahydropyridazine (74204-90-3)

Guidance literature:

DOI:10.1007/BF00554209

Reference yield:

1-phenyl-3-methylhexahydropyridazine (39998-48-6) → 3-methyl-1-phenyl-1,4,5,6-tetrahydropyridazine (74204-92-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent

2: 25percent HCl / ethanol / 11 h / 100 °C

With hydrogenchloride; In ethanol;

DOI:10.1007/BF00554209

Downstream raw materials:

1-phenylthiocarbamoyl-2-phenyl-6-methylhexahydropyridazine

3-methyl-1-phenyl-1,4,5,6-tetrahydropyridazine