2H-1-Benzopyran-2-one, 8-methoxy-3-(1H-tetrazol-5-yl)-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 8-methoxy-3-(1H-tetrazol-5-yl)-
• CAS No.: 75055-14-0
• Molecular Formula: C₁₁H₈N₄O₃
• Molecular Weight: 244.21
• DSSTox Substance ID: DTXSID20226023
• Nikkaji Number: J3.126.819B
• Wikidata: Q83105270
• Mol file: 75055-14-0.mol

Synonyms:75055-14-0;8-Methoxy-3-(1H-tetrazol-5-yl)coumarin;2H-1-Benzopyran-2-one, 8-methoxy-3-(1H-tetrazol-5-yl)-;8-Methoxy-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one;SCHEMBL11150802;DTXSID20226023;LS-39787;3-(1H-Tetrazole-5-yl)-8-methoxy-2H-1-benzopyran-2-one

Chemical Property of 2H-1-Benzopyran-2-one, 8-methoxy-3-(1H-tetrazol-5-yl)-

Chemical Property:

• Vapor Pressure: 3.6E-12mmHg at 25°C
• Boiling Point: 550.6°C at 760 mmHg
• Flash Point: 286.8°C
• PSA: 93.90000
• Density: 1.514g/cm³
• LogP: 0.98170
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 244.05964013
• Heavy Atom Count: 18
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

8-METHOXY-3-(1H-TETRAZOL-5-YL)COUMARIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3

Technology Process of 2H-1-Benzopyran-2-one, 8-methoxy-3-(1H-tetrazol-5-yl)-

There total 2 articles about 2H-1-Benzopyran-2-one, 8-methoxy-3-(1H-tetrazol-5-yl)- 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: 88.0%

3-methoxy-2-hydroxybenzaldehyde (148-53-8) + malononitrile (109-77-3) → 8-methoxy-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one (75055-14-0)

Guidance literature:

3-methoxy-2-hydroxybenzaldehyde; malononitrile; In water; at 20 ℃; Green chemistry;

With sodium azide; In water; Reflux; Green chemistry;

With hydrogenchloride; In water; Green chemistry;

DOI:10.1002/hlca.201200031

Reference yield:

→ 8-methoxy-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one (75055-14-0)

Guidance literature:

upstream raw materials:

3-methoxy-2-hydroxybenzaldehyde

malononitrile