Guanoxan

Base Information

• Chemical Name: Guanoxan
• CAS No.: 2165-19-7
• Molecular Formula: C₁₀H₁₃N₃O₂
• Molecular Weight: 207.232
• UNII: 9V0MRL0R5Y
• DSSTox Substance ID: DTXSID3046166
• Nikkaji Number: J7.344J
• Wikipedia: Guanoxan
• Wikidata: Q3778223
• NCI Thesaurus Code: C174589
• Metabolomics Workbench ID: 154041
• ChEMBL ID: CHEMBL76725
• Mol file: 2165-19-7.mol

Synonyms:guanoxan

Chemical Property of Guanoxan

Chemical Property:

• Vapor Pressure: 2.75E-06mmHg at 25°C
• Melting Point: 164-165°
• Boiling Point: 389.9°Cat760mmHg
• PKA: pKa 12.3 (Uncertain)
• Flash Point: 189.6°C
• PSA: 80.36000
• Density: 1.4g/cm³
• LogP: 1.50040
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.100776666
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%,99%, ^*data from raw suppliers

Guanoxan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2O1)CN=C(N)N
• Uses: Guanoxan is a sympatholytic drug related to Guanethidine (G815000). Guanoxan is used in the treatment of hypertension.
• Therapeutic Function: Antihypertensive

Technology Process of Guanoxan

There total 6 articles about Guanoxan 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:

2-(toluene-4-sulfonyloxymethyl)-2,3-dihydro-benzo[1,4]dioxine (1094-91-3) → guanoxan (2165-19-7,46416-30-2,46416-32-4)

Guidance literature:

Multi-step reaction with 4 steps

1: NaN₃

2: H₂ / Pd/C

3: Et₃N

4: SnCl₄

With sodium azide; hydrogen; tin(IV) chloride; triethylamine; palladium on activated charcoal;

DOI:10.1016/S0960-894X(01)00456-5

Reference yield:

2-azidomethyl-2,3-dihydro-1,4-benzodioxine (128318-80-9) → guanoxan (2165-19-7,46416-30-2,46416-32-4)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd/C

2: Et₃N

3: SnCl₄

With hydrogen; tin(IV) chloride; triethylamine; palladium on activated charcoal;

DOI:10.1016/S0960-894X(01)00456-5

Reference yield:

2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin (3663-82-9) → guanoxan (2165-19-7,46416-30-2,46416-32-4)

Guidance literature:

Multi-step reaction with 5 steps

1: pyridine

2: NaN₃

3: H₂ / Pd/C

4: Et₃N

5: SnCl₄

With pyridine; sodium azide; hydrogen; tin(IV) chloride; triethylamine; palladium on activated charcoal;

DOI:10.1016/S0960-894X(01)00456-5

upstream raw materials:

N-(1,4-Benzodioxan-2-ylmethyl)-N',N''-bis(tert-butoxycarbonyl)guanidine

2-(toluene-4-sulfonyloxymethyl)-2,3-dihydro-benzo[1,4]dioxine

2-azidomethyl-2,3-dihydro-1,4-benzodioxine

(2,3-dihydrobenzo[1,4]dioxin-2-ylmethyl)amine

Refernces

• 1、 Augtein,Green,Monro,Potter,Worthing,Wrigley. "Adrenergic neurone blocking agents derived from 1,4-benzodioxan.". . p. 446 - 456. Retrieved 2007/10/04.