Sardomozide

Base Information

• Chemical Name: Sardomozide
• CAS No.: 149400-88-4
• Molecular Formula: C₁₁H₁₄N₆*2ClH
• Molecular Weight: 303.194
• Hs Code.: 2928000090
• UNII: CEB05S0B9I
• NCI Thesaurus Code: C1673
• ChEMBL ID: CHEMBL65789
• Mol file: 149400-88-4.mol

Synonyms:4-AIAH;4-amidinoindan-1-one 2'-amidinohydrazone;CGP 48664;CGP 48664A;CGP-48664;CGP-48664A;SAM 486A;SAM486A

Chemical Property of Sardomozide

Chemical Property:

• Boiling Point: 490.6°Cat760mmHg
• PKA: 11.54±0.20(Predicted)
• Flash Point: 250.5°C
• PSA: 124.13000
• Density: 1.54g/cm³
• LogP: 2.09500
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.12799447
• Heavy Atom Count: 17
• Complexity: 368

Purity/Quality:

99%min ^*data from raw suppliers

Sardomozide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=NN=C(N)N)C2=C1C(=CC=C2)C(=N)N
• Isomeric SMILES: C1C/C(=N\N=C(N)N)/C2=C1C(=CC=C2)C(=N)N

Technology Process of Sardomozide

There total 4 articles about Sardomozide 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: 72.0%

aminoguanidine bicarbonate (2582-30-1) + 4-amidino-2,3-dihydro-1H-inden-1-one hydrochloride → 4-amidinoindan-1-ne 2'-amidinohydrazone dihydrochloride (149400-88-4)

Guidance literature:

With hydrogenchloride; In water; for 20h; Ambient temperature;

DOI:10.1021/jm00067a014

Reference yield:

4-cyano-2,3-dihydro-1H-inden-1-one (60899-34-5) → 4-amidinoindan-1-ne 2'-amidinohydrazone dihydrochloride (149400-88-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 66.6 percent / H₂S, pyridine, Et₃N / 19 h / 40 °C

2: CH₂Cl₂ / 16 h / Ambient temperature

3: NH₄Cl / ethanol / 20 h / Heating

4: 72 percent / aq. HCl / H₂O / 20 h / Ambient temperature

With pyridine; hydrogenchloride; hydrogen sulfide; ammonium chloride; triethylamine; In ethanol; dichloromethane; water;

DOI:10.1021/jm00067a014

Reference yield:

4-thiocarbamoyl-2,3-dihydro-1H-inden-1-one (138764-18-8) → 4-amidinoindan-1-ne 2'-amidinohydrazone dihydrochloride (149400-88-4)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂ / 16 h / Ambient temperature

2: NH₄Cl / ethanol / 20 h / Heating

3: 72 percent / aq. HCl / H₂O / 20 h / Ambient temperature

With hydrogenchloride; ammonium chloride; In ethanol; dichloromethane; water;

DOI:10.1021/jm00067a014

upstream raw materials:

aminoguanidine bicarbonate

4-cyano-2,3-dihydro-1H-inden-1-one

4-thiocarbamoyl-2,3-dihydro-1H-inden-1-one

1-Oxo-indan-4-carboximidothioic acid ethyl ester

Refernces