1-Phenyl-1,3,4,5-tetrahydro-benzo[CD]indazole

Base Information

Chemical Name:1-Phenyl-1,3,4,5-tetrahydro-benzo[CD]indazole
CAS No.:4106-24-5
Molecular Formula:C16H14N2
Molecular Weight:234.29576
Hs Code.:2933990090
DSSTox Substance ID:DTXSID00462326
Mol file:4106-24-5.mol

Synonyms:4106-24-5;1-PHENYL-1,3,4,5-TETRAHYDRO-BENZO[CD]INDAZOLE;1-Phenyl-1,3,4,5-tetrahydrobenzo[cd]indazole;1-Phenyl-1,3,4,5-tetrahydro-benzo[cd];DTXSID00462326;AKOS015963867;AC-17971

Suppliers and Price of 1-Phenyl-1,3,4,5-tetrahydro-benzo[CD]indazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-PHENYL-1,3,4,5-TETRAHYDRO-BENZO(CD)INDAZOLE 95.00%
5MG
$ 498.34

Total 6 raw suppliers

Chemical Property of 1-Phenyl-1,3,4,5-tetrahydro-benzo[CD]indazole

Chemical Property:

Vapor Pressure:5.08E-05mmHg at 25°C
Boiling Point:348.3°C at 760 mmHg
Flash Point:164.4°C
PSA：17.82000
Density:1.22g/cm³
LogP:3.51420
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:234.115698455
Heavy Atom Count:18
Complexity:298

Purity/Quality:

99% ^*data from raw suppliers

1-PHENYL-1,3,4,5-TETRAHYDRO-BENZO(CD)INDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=C3C(=NN(C3=CC=C2)C4=CC=CC=C4)C1

Technology Process of 1-Phenyl-1,3,4,5-tetrahydro-benzo[CD]indazole

There total 5 articles about 1-Phenyl-1,3,4,5-tetrahydro-benzo[CD]indazole 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: 40.0%

: 8-bromo-3,4-dihydro-1(2H)-naphthalenone phenylhydrazone

: 4106-24-5
1,3,4,5-tetrahydro-1-phenylbenz[cd]indazole

Guidance literature:: With potassium phosphate; bis[2-(diphenylphosphino)phenyl] ether; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 110 ℃; for 24h;
DOI:10.1021/jo048671t

Reference yield:

: 529-33-9
1,2,3,4-Tetrahydro-1-naphthol

: 4106-24-5
1,3,4,5-tetrahydro-1-phenylbenz[cd]indazole

Guidance literature:: Multi-step reaction with 4 steps

1: 34 percent / n-BuLi; TMEDA / pentane; hexane / -78 - 20 °C

2: 41 percent / CrO₃; AcOH / H₂O / 12 h / 20 °C

3: 62 percent / diethyl ether / 140 h / 40 °C

4: 40 percent / K₃PO₄; Pd(dba)2; bis[2-(diphenylphosphino)phenyl] ether / toluene / 24 h / 110 °C

With chromium(VI) oxide; potassium phosphate; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; acetic acid; bis[2-(diphenylphosphino)phenyl] ether; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In diethyl ether; hexane; water; toluene; pentane;
DOI:10.1021/jo048671t

Reference yield:

: 651735-60-3
8-bromo-3,4-dihydronaphthalene-1(2H)-one

: 4106-24-5
1,3,4,5-tetrahydro-1-phenylbenz[cd]indazole

Guidance literature:: Multi-step reaction with 2 steps

1: 62 percent / diethyl ether / 140 h / 40 °C

2: 40 percent / K₃PO₄; Pd(dba)2; bis[2-(diphenylphosphino)phenyl] ether / toluene / 24 h / 110 °C

With potassium phosphate; bis[2-(diphenylphosphino)phenyl] ether; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In diethyl ether; toluene;
DOI:10.1021/jo048671t