Benzodioxan-2-carboxamidine hydrochloride

Base Information

• Chemical Name: Benzodioxan-2-carboxamidine hydrochloride
• CAS No.: 85084-36-2
• Molecular Formula: C₉H₁₀N₂O₂*ClH
• Molecular Weight: 214.652
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40372056
• Mol file: 85084-36-2.mol

Synonyms:85084-36-2;Benzodioxan-2-carboxamidine hydrochloride;Benzodioxan-2-carboxamidine, HCl;2,3-Dihydrobenzo[b][1,4]dioxine-2-carboximidamide hydrochloride;2,3-dihydro-1,4-benzodioxine-3-carboximidamide;hydrochloride;2,3-Dihydro-1,4-benzodioxine-2-carboxamidine hydrochloride;DTXSID40372056;MFCD00831017;CS-0458975;benzodioxan-2-carboxamidine hydrochloride, AldrichCPR;2,3-Dihydrobenzo[b][1,4]dioxine-2-carboximidamidehydrochloride

Chemical Property of Benzodioxan-2-carboxamidine hydrochloride

Chemical Property:

• PSA: 68.33000
• LogP: 2.36440
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.0509053
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

Benzodioxan-2-carboxamidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2O1)C(=N)N.Cl

Technology Process of Benzodioxan-2-carboxamidine hydrochloride

There total 4 articles about Benzodioxan-2-carboxamidine 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: 97.0%

diethyl-2,3-dihydro-1,4-benzodioxine-2-carboximidate (96717-31-6) → chlorure de dihydro-2,3 benzodioxinne-1,4 carboxamidinium-2 (85084-36-2)

Guidance literature:

With ammonium chloride; In ethanol; for 3.5h; Heating;

DOI:10.1016/0223-5234(90)90002-K

Reference yield:

ethyl (1,4-benzodioxan-2-yl)imidoate hydrochloride (79944-55-1) → chlorure de dihydro-2,3 benzodioxinne-1,4 carboxamidinium-2 (85084-36-2)

Guidance literature:

With ammonia; In ethanol; at 0 - 10 ℃; for 24h;

DOI:10.1021/jm00360a008

Reference yield:

2-cyano-1,4-benzodioxane (1008-92-0) → chlorure de dihydro-2,3 benzodioxinne-1,4 carboxamidinium-2 (85084-36-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / HCl / diethyl ether / 24 h / 0 - 10 °C

2: NH₃ / ethanol / 24 h / 0 - 10 °C

With hydrogenchloride; ammonia; In diethyl ether; ethanol;

DOI:10.1021/jm00360a008

upstream raw materials:

diethyl-2,3-dihydro-1,4-benzodioxine-2-carboximidate

ethyl (1,4-benzodioxan-2-yl)imidoate hydrochloride

2-cyano-1,4-benzodioxane

benzene-1,2-diol

Downstream raw materials:

N-(2-Morpholin-4-yl-ethyl)-2,3-dihydro-benzo[1,4]dioxine-2-carboxamidine; hydrochloride

dichlorure de N-(diethylammonio-2 ethyl) dihydro 2,3-benzodioxinne-1,4 carboxamidinium-2

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