2-(2H-tetrazol-5-yl)ethanol

Base Information

• Chemical Name: 2-(2H-tetrazol-5-yl)ethanol
• CAS No.: 17587-08-5
• Molecular Formula: C3H6 N4 O
• Molecular Weight: 114.107
• Hs Code.: 2933990090
• European Community (EC) Number: 851-230-0
• NSC Number: 141936
• DSSTox Substance ID: DTXSID50301236
• Wikidata: Q82044931
• Mol file: 17587-08-5.mol

Synonyms:17587-08-5;2-(2H-tetrazol-5-yl)ethanol;2-(2H-TETRAZOL-5-YL)-ETHANOL;2h-tetrazole-5-ethanol;5-(2-hydroxyethyl)tetrazole;2-(1H-TETRAZOL-5-YL)ETHANOL;hydroxyethyltetrazole;NSC141936;2-(1H-1,2,3,4-tetrazol-5-yl)ethan-1-ol;SCHEMBL1680256;2-(1H-tetrazol-5-yl)-ethanol;DTXSID50301236;MFCD08059926;STK682545;AKOS005597019;AB16834;NSC-141936;BS-21762;FT-0706344;2-(2H-1,2,3,4-tetrazol-5-yl)ethan-1-ol;EN300-208962;A812123;J-011145;2-(2H-1,2,3,4-TETRAAZOL-5-YL)-1-ETHANOL

Chemical Property of 2-(2H-tetrazol-5-yl)ethanol

Chemical Property:

• Vapor Pressure: 8.33E-06mmHg at 25°C
• Boiling Point: 359.9°Cat760mmHg
• PKA: 4.65±0.10(Predicted)
• Flash Point: 171.4°C
• PSA: 74.69000
• Density: 1.467g/cm³
• LogP: -1.26550
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 114.05416083
• Heavy Atom Count: 8
• Complexity: 68.3

Purity/Quality:

99% ^*data from raw suppliers

2-(2H-Tetrazol-5-yl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)C1=NNN=N1

Technology Process of 2-(2H-tetrazol-5-yl)ethanol

There total 1 articles about 2-(2H-tetrazol-5-yl)ethanol 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: 65.0%

3-Hydroxypropionitrile (109-78-4) → 2-(1H-tetrazol-5-yl)ethanol (17587-08-5)

Guidance literature:

With trimethylsilylazide; trimethylaluminum; In toluene; at 80 ℃;

DOI:10.1016/S0040-4039(00)61437-5

Reference yield: 88.0%

2-(1H-tetrazol-5-yl)ethanol (17587-08-5) + trityl chloride (76-83-5) → 2-(1-trityl-1H-tetrazol-5-yl)ethanol (1449782-14-2)

Guidance literature:

2-(1H-tetrazol-5-yl)ethanol; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃;

trityl chloride; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2013.04.080

Reference yield:

2-(1H-tetrazol-5-yl)ethanol (17587-08-5) + bis(trichloromethyl) carbonate (32315-10-9) + 4-amino-N-((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3‘-piperidin]-1’-yl)-3-(3-fluorophenyl)-1-oxopropan-2-yl)benzamide → 2-(1H-tetrazol-5-yl) ethyl(4-(((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2-diHydrospiro[benzo[d][1,3]oxazine-4,3’-piperidin]-1’-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl)carbamoyl)phenyl)carbamate

Guidance literature:

bis(trichloromethyl) carbonate; 4-amino-N-((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3‘-piperidin]-1’-yl)-3-(3-fluorophenyl)-1-oxopropan-2-yl)benzamide; With triethylamine; In dichloromethane; at -20 ℃; for 0.5h;

2-(1H-tetrazol-5-yl)ethanol; With triethylamine; at 20 ℃;

upstream raw materials:

3-Hydroxypropionitrile

Downstream raw materials:

(S,E)-2-(1H-tetrazol-5-yl)ethyl 4-(2-(3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)acrylamido)-3-phenylpropanamido)phenylcarbamate

2-(1-trityl-1H-tetrazol-5-yl)ethanol

C₂₆H₂₄F₉N₁₁O₂