6-(Benzyloxy)-1H-indazole

Base Information

• Chemical Name: 6-(Benzyloxy)-1H-indazole
• CAS No.: 874668-62-9
• Molecular Formula: C14H12 N2 O
• Molecular Weight: 224.262
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10468197
• Wikidata: Q82295320
• Mol file: 874668-62-9.mol

Synonyms:6-(Benzyloxy)-1H-indazole;874668-62-9;6-Benzyloxy-1H-indazole;6-phenylmethoxy-1H-indazole;1H-Indazole, 6-(phenylmethoxy)-;MFCD05664005;6-Benzyloxy-1H-indazol;SCHEMBL4977897;DTXSID10468197;AKOS015898264;AB22182;CS-W003236;AC-29464;AS-30229;SY029360;FT-0764391;EN300-81036;A862580;J-518041;Z1227751584

Chemical Property of 6-(Benzyloxy)-1H-indazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.678
• Boiling Point: 422.407°C at 760 mmHg
• PKA: 14.22±0.40(Predicted)
• Flash Point: 152.493°C
• PSA: 37.91000
• Density: 1.247g/cm³
• LogP: 3.14190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.094963011
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

98%min ^*data from raw suppliers

6-(Benzyloxy)-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=NN3

Technology Process of 6-(Benzyloxy)-1H-indazole

There total 2 articles about 6-(Benzyloxy)-1H-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: 35.0%

1H-indazol-6-ol (23244-88-4) + benzyl bromide (100-39-0) → 6-(benzyloxy)1-H-indazole (874668-62-9)

Guidance literature:

With potassium carbonate; In ethanol; for 6h; Heating;

DOI:10.1021/jm050663x

Reference yield:

4-benzoxy-salicylaldehyde (52085-14-0) → 6-(benzyloxy)1-H-indazole (874668-62-9)

Guidance literature:

With hydrazine hydro-chloride; In ethanol; for 3h; Reflux;

DOI:10.3987/COM-17-13826

Reference yield: 47.0%

6-(benzyloxy)1-H-indazole (874668-62-9) + (R)-propylene oxide (15448-47-2) → (R)-1-(6-benzyloxy-indazol-1-yl)-propan-2-ol (210581-14-9)

Guidance literature:

With sodium ethanolate; In ethanol; for 18h;

DOI:10.1021/jm050663x

upstream raw materials:

1H-indazol-6-ol

benzyl bromide

4-benzoxy-salicylaldehyde

Downstream raw materials:

(R)-1-(6-benzyloxy-indazol-1-yl)-propan-2-ol

(S)-1-(6-benzyloxyindazol-1-yl)propan-2-ol

1-(2-azido-propyl)-6-benzyloxy-1H-indazole

[(S)-2-(6-Methoxy-indazol-1-yl)-1-methyl-ethyl]-carbamic acid benzyl ester

Refernces

• 1、 Conrow, Raymond E.,Delgado, Pete,Dean, W. Dennis,Callen, Gary R.,Plummer, Scott V.. "Two-step N-acylindazole to N-alkylindazole reduction. Further synthetic studies on the serotonergic agonist AL-34662". . p. 2348 - 2350. Retrieved 2008/09/18.