8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride

Base Information

• Chemical Name: 8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride
• CAS No.: 110683-23-3
• Molecular Formula: C10H8ClN5O2
• Molecular Weight: 265.659
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30549396
• Mol file: 110683-23-3.mol

Synonyms:110683-23-3;8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride;8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride;8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran HCl;8-Amino-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one hydrochloride;8-amino-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride;8-amino-2-(2H-tetrazol-5-yl)chromen-4-one,hydrochloride;SCHEMBL3378814;AMY8926;DTXSID30549396;MFCD09907720;MFCD16621729;AKOS015918178;AKOS016007823;DS-4431;SY060851;CS-0441153;F13961;A850988;8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one HCl;8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-onehydrochloride;Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride;8-AMino-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one hydrochloride;8-Amino-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one,monohydrochloride;8-Amino-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one--hydrogen chloride (1/1)

Chemical Property of 8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride

Chemical Property:

• Boiling Point: 515 °C at 760 mmHg
• Flash Point: 265.2 °C
• PSA: 110.69000
• LogP: 1.93850
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 265.0366522
• Heavy Atom Count: 18
• Complexity: 359

Purity/Quality:

98%Min ^*data from raw suppliers

8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)N)OC(=CC2=O)C3=NNN=N3.Cl

Technology Process of 8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride

There total 4 articles about 8-Amino-2-(2H-tetrazol-5-yl)-4H-chromen-4-one hydrochloride 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:

8-nitro-4-oxo-2-(5-1H-tetrazolyl)-4H-1-benzopyran (141283-42-3) → 8-amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran hydrochloride (110683-23-3)

Guidance literature:

With hydrogenchloride; hydrogen; Pd-Cl; In methanol;

DOI:10.1021/jm00396a013

Reference yield:

8-nitro-4-oxo-4H-1-benzopyran-2-carbonitrile (141283-41-2) → 8-amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran hydrochloride (110683-23-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaN₃, pyridinium chloride / 100 °C

2: H₂, conc. HCl / Pd-Cl / methanol

With hydrogenchloride; sodium azide; hydrogen; pyridine hydrochloride; Pd-Cl; In methanol;

DOI:10.1021/jm00396a013

Reference yield:

8-nitro-4-oxo-4H-1-benzopyran-2-carboxamide (161369-34-2) → 8-amino-4-oxo-2-tetrazol-5-yl-4H-1-benzopyran hydrochloride (110683-23-3)

Guidance literature:

Multi-step reaction with 3 steps

1: POCl₃ / dimethylformamide

2: NaN₃, pyridinium chloride / 100 °C

3: H₂, conc. HCl / Pd-Cl / methanol

With hydrogenchloride; sodium azide; hydrogen; pyridine hydrochloride; trichlorophosphate; Pd-Cl; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00396a013

upstream raw materials:

8-nitro-4-oxo-2-(5-1H-tetrazolyl)-4H-1-benzopyran

8-nitro-4-oxo-4H-1-benzopyran-2-carbonitrile

8-nitro-4-oxo-4H-1-benzopyran-2-carboxamide

ethyl 8-nitro-4-oxo-4H-benzopyran-2-carboxylate

Downstream raw materials:

pranlukast

Refernces