4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide

Base Information

• Chemical Name: 4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide
• CAS No.: 361367-38-6
• Molecular Formula: C₁₀H₁₀N₄O₂
• Molecular Weight: 218.215
• DSSTox Substance ID: DTXSID601205803
• ChEMBL ID: CHEMBL3589018
• Mol file: 361367-38-6.mol

Synonyms:4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide;361367-38-6;CHEMBL3589018;4-amino-{N}-benzyl-1,2,5-oxadiazole-3-carboxamide;Oprea1_210566;SCHEMBL18257911;DTXSID601205803;BDBM50094511;MFCD02647192;STK763302;AKOS001737736;NCGC00330604-01;CS-0323357;EU-0085865;4-Amino-furazan-3-carboxylic acid benzylamide;AB01324874-02;AG-205/15156088;SR-01000530625;SR-01000530625-1;4-Amino-N-(phenylmethyl)-1,2,5-oxadiazole-3-carboxamide;4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide, AldrichCPR

Chemical Property of 4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 218.08037557
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=NON=C2N

Technology Process of 4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide

There total 3 articles about 4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide 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:

(E)-2-(benzylamino)-N-hydroxy-2-oxoacetimidoyl cyanide → 4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide (361367-38-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine / water; tetrahydrofuran / 35 °C

2: 1,1'-carbonyldiimidazole / water; tetrahydrofuran / 0.03 h / 20 °C

With hydroxylamine; 1,1'-carbonyldiimidazole; In tetrahydrofuran; water;

DOI:10.1021/acs.orglett.8b00568

Reference yield:

C10H12N4O3 → 4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide (361367-38-6)

Guidance literature:

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; water; at 20 ℃; for 0.0333333h;

DOI:10.1021/acs.orglett.8b00568

Reference yield:

N-Benzylcyanoacetamide (10412-93-8) → 4-amino-N-benzyl-1,2,5-oxadiazole-3-carboxamide (361367-38-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; sodium nitrite / acetonitrile; water / 20 °C

2: hydroxylamine / water; tetrahydrofuran / 35 °C

3: 1,1'-carbonyldiimidazole / water; tetrahydrofuran / 0.03 h / 20 °C

With hydrogenchloride; hydroxylamine; 1,1'-carbonyldiimidazole; sodium nitrite; In tetrahydrofuran; water; acetonitrile;

DOI:10.1021/acs.orglett.8b00568

upstream raw materials:

N-Benzylcyanoacetamide

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