1-(4-Fluorophenyl)-5-(2-methyltetrazol-5-ylmethyl)-1h-indole

Base Information

Chemical Name:1-(4-Fluorophenyl)-5-(2-methyltetrazol-5-ylmethyl)-1h-indole
CAS No.:243467-61-0
Molecular Formula:C₁₇H₁₄FN₅
Molecular Weight:307.33
Hs Code.:
DSSTox Substance ID:DTXSID301165806

Synonyms:SCHEMBL6961061;JKGHQCKQEZMFBG-UHFFFAOYSA-N;DTXSID301165806;1-(4-fluorophenyl)-5-(2-methyltetrazol-5-ylmethyl)-1h-indole;243467-61-0;1-(4-Fluorophenyl)-5-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indole

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

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Chemical Property of 1-(4-Fluorophenyl)-5-(2-methyltetrazol-5-ylmethyl)-1h-indole

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:307.12332363
Heavy Atom Count:23
Complexity:400

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1N=C(N=N1)CC2=CC3=C(C=C2)N(C=C3)C4=CC=C(C=C4)F

Technology Process of 1-(4-Fluorophenyl)-5-(2-methyltetrazol-5-ylmethyl)-1h-indole

There total 7 articles about 1-(4-Fluorophenyl)-5-(2-methyltetrazol-5-ylmethyl)-1h-indole 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:

: 243467-65-4
1-(4-fluorophenyl)-5-[(2H-1,2,3,4-tetrazol-5-yl)methyl]-1H-indole

: 74-88-4
methyl iodide

: 243467-62-1
1-(4-fluorophenyl)-5-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methyl]-1H-indole

: 243467-61-0
1-(4-fluorophenyl)-5-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]-1H-indole

Guidance literature:: With potassium tert-butylate; In 1-methyl-pyrrolidin-2-one; at 0 - 20 ℃;
DOI:10.1016/S0968-0896(02)00459-5

Reference yield:

: 138900-18-2
1-(4-fluorophenyl)-5-cyano-1H-indole

: 243467-61-0
1-(4-fluorophenyl)-5-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]-1H-indole

Guidance literature:: Multi-step reaction with 6 steps

1: 96 percent / KOH; H₂O / ethanol / 24 h / Heating

2: lithium aluminum hydride / tetrahydrofuran / 2 h / Heating

3: methanesulfonyl chloride; NEt₃ / CH₂Cl₂ / 2 h / 0 - 5 °C

4: 8.2 g / dimethylsulfoxide / 0.67 h / 80 °C

5: sodium azide; NEt₃*HCl / 1,2-dimethoxy-ethane / 48 h / Heating

6: 3.7 g / potassium tert-butoxide / 1-methyl-pyrrolidin-2-one / 0 - 20 °C

With potassium hydroxide; lithium aluminium tetrahydride; sodium azide; potassium tert-butylate; water; triethylamine hydrochloride; methanesulfonyl chloride; triethylamine; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; 1,2-dimethoxyethane; ethanol; dichloromethane; dimethyl sulfoxide;
DOI:10.1016/S0968-0896(02)00459-5

Reference yield:

: 243467-59-6
1-(4-fluorophenyl)-5-(hydroxymethyl)-1H-indole

: 243467-61-0
1-(4-fluorophenyl)-5-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]-1H-indole

Guidance literature:: Multi-step reaction with 4 steps

1: methanesulfonyl chloride; NEt₃ / CH₂Cl₂ / 2 h / 0 - 5 °C

2: 8.2 g / dimethylsulfoxide / 0.67 h / 80 °C

3: sodium azide; NEt₃*HCl / 1,2-dimethoxy-ethane / 48 h / Heating

4: 3.7 g / potassium tert-butoxide / 1-methyl-pyrrolidin-2-one / 0 - 20 °C

With sodium azide; potassium tert-butylate; triethylamine hydrochloride; methanesulfonyl chloride; triethylamine; In 1-methyl-pyrrolidin-2-one; 1,2-dimethoxyethane; dichloromethane; dimethyl sulfoxide;
DOI:10.1016/S0968-0896(02)00459-5