1H-Tetrazole-1-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)-

Base Information

Chemical Name:1H-Tetrazole-1-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)-
CAS No.:93770-52-6
Molecular Formula:C13H9ClN4O3
Molecular Weight:304.6886
Hs Code.:
DSSTox Substance ID:DTXSID70239582
Wikidata:Q83121964

Synonyms:BRN 4712539;1H-Tetrazole-1-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)-;93770-52-6;5-(5-(4-Chlorophenyl)-2-furanyl)-1H-tetrazole-1-acetic acid;C13H9ClN4O3;DTXSID70239582;LS-149046

Suppliers and Price of 1H-Tetrazole-1-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)-

Supply Marketing:

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

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Chemical Property of 1H-Tetrazole-1-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)-

Chemical Property:

Vapor Pressure:8.16E-14mmHg at 25°C
Boiling Point:569.6°C at 760 mmHg
Flash Point:298.3°C
Density:1.58g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:304.0363179
Heavy Atom Count:21
Complexity:378

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=CC=C(O2)C3=NN=NN3CC(=O)O)Cl

Technology Process of 1H-Tetrazole-1-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)-

There total 6 articles about 1H-Tetrazole-1-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)- 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: 94.0%

: 92973-05-2
{5-[5-(4-Chloro-phenyl)-furan-2-yl]-tetrazol-1-yl}-acetic acid ethyl ester

: 93770-52-6
{5-[5-(4-Chloro-phenyl)-furan-2-yl]-tetrazol-1-yl}-acetic acid

Guidance literature:: With hydrogenchloride; potassium hydroxide; In ethanol; water; for 1h; Heating;
DOI:10.1135/cccc19841699

Reference yield:

: 41019-45-8
5-(4-chlorophenyl)-2-furoic acid

: 93770-52-6
{5-[5-(4-Chloro-phenyl)-furan-2-yl]-tetrazol-1-yl}-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: SOCl₂ / DMF / 0.67 h / Heating

2: 91 percent / triethylamine / CHCl₃ / 1.) -5 to 0 deg C, 30 min; 2.) r.t., 1 h

3: PCl₅ / benzene / 0.25 h / 75 °C

4: sodium azide / dimethylformamide / 0.5 h

5: 1.) 3M KOH, 2.) 15percent HCl / methanol; H₂O / 1 h / Heating

With hydrogenchloride; potassium hydroxide; thionyl chloride; sodium azide; phosphorus pentachloride; triethylamine; DMF; In methanol; chloroform; water; N,N-dimethyl-formamide; benzene;
DOI:10.1135/cccc19841505

Reference yield:

: 57753-80-7
5-(4-chloro-phenyl)-furan-2-carbonyl chloride

: 93770-52-6
{5-[5-(4-Chloro-phenyl)-furan-2-yl]-tetrazol-1-yl}-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 91 percent / triethylamine / CHCl₃ / 1.) -5 to 0 deg C, 30 min; 2.) r.t., 1 h

2: PCl₅ / benzene / 0.25 h / 75 °C

3: sodium azide / dimethylformamide / 0.5 h

4: 1.) 3M KOH, 2.) 15percent HCl / methanol; H₂O / 1 h / Heating

With hydrogenchloride; potassium hydroxide; sodium azide; phosphorus pentachloride; triethylamine; In methanol; chloroform; water; N,N-dimethyl-formamide; benzene;
DOI:10.1135/cccc19841505