2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole

Base Information

• Chemical Name: 2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole
• CAS No.: 65103-48-2
• Molecular Formula: C16H14N2O
• Molecular Weight: 250.3
• NSC Number: 116586
• DSSTox Substance ID: DTXSID20297551
• Nikkaji Number: J689.354F
• ChEMBL ID: CHEMBL1712280

Synonyms:MLS002706663;65103-48-2;SMR001574064;2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole;NSC116586;cid_272282;CHEMBL1712280;DTXSID20297551;BDBM114823;NSC-116586;2-phenyl-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]pyrazole

Chemical Property of 2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole

Chemical Property:

• Vapor Pressure: 1.13E-06mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.110613074
• Heavy Atom Count: 19
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2COC3=CC=CC=C3C2=NN1C4=CC=CC=C4

Technology Process of 2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole

There total 13 articles about 2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole 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: 84.0%

5-(2'-Allyloxyphenyl)-2-phenyltetrazol (65698-89-7) → 2-phenyl-4H-3,3a-dihydropyrazolo<2,3-d>benzopyran (65103-48-2)

Guidance literature:

In benzene; for 2h; Irradiation;

DOI:10.1002/hlca.19850680524

Reference yield: 18.0%

2-allyloxybenzaldehyde phenylhydrazone (78386-61-5) → 2-Phenyl-1,2,4,9b-tetrahydro-chromeno[4,3-c]pyrazole + 2-phenyl-4H-3,3a-dihydropyrazolo<2,3-d>benzopyran (65103-48-2)

Guidance literature:

In xylene; for 144h; Heating;

DOI:10.1016/S0040-4020(01)87793-0

Reference yield: 11.0%

2-(prop-2-ynyloxy)benzaldehyde phenylhydrazone (74553-32-5) → 2-phenyl-4H-3,3a-dihydropyrazolo<2,3-d>benzopyran (65103-48-2)

Guidance literature:

In xylene; for 72h; Heating;

DOI:10.1016/S0040-4020(01)87793-0

upstream raw materials:

5-(2'-Allyloxyphenyl)-2-phenyltetrazol

2-allyloxy-benzoic acid N'-phenyl-hydrazide

2-prop-2-ynyloxy-benzaldehyde phenylhydrazone

2-allyloxybenzaldehyde phenylhydrazone

Downstream raw materials:

2-Phenyl-2,4-dihydrochromeno<4,3-c>pyrazol

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