2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine

Base Information

• Chemical Name: 2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine
• CAS No.: 333748-88-2
• Molecular Formula: C₈H₈Cl₂N₂O
• Molecular Weight: 219.07
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID70430678
• Mol file: 333748-88-2.mol

Synonyms:333748-88-2;2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine;2-(2,4-Dichlorophenyl)-N-hydroxyacetimidamide;2-(2,4-dichlorophenyl)-N'-hydroxyethanimidamide;2-(2,4-dichlorophenyl)-n-hydroxyethanimidamide;SCHEMBL2644244;DTXSID70430678;MFCD08705937;AKOS000156048;AKOS022172867;AS-66674;EN300-1291678;(1Z)-(2,4-Dichlorophenyl)-N'-hydroxyethanimidamide

Chemical Property of 2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine

Chemical Property:

• Boiling Point: 340.2±52.0 °C(Predicted)
• PKA: 14.33±0.50(Predicted)
• Flash Point: 192.4oC
• PSA: 58.61000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 2.98260
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.0013683
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

≥99% ^*data from raw suppliers

2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CC(=NO)N
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)C/C(=N/O)/N

Technology Process of 2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine

There total 1 articles about 2-(2,4-Dichloro-phenyl)-N-hydroxy-acetamidine 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:

2,4-Dichlorophenylacetonitrile (6306-60-1) → 2-(2,4-dichloro-phenyl)-N-hydroxy-acetamidine (333748-88-2,691411-72-0)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In ethanol; for 48h; Heating;

DOI:10.1021/jm990229t

Reference yield:

2-(2,4-dichloro-phenyl)-N-hydroxy-acetamidine (333748-88-2,691411-72-0) → (S)-4-Amino-4-[3-(2,4-dichloro-benzyl)-[1,2,4]oxadiazol-5-yl]-butyramide

Guidance literature:

Multi-step reaction with 3 steps

1: 1,2-dimethoxy-ethane / 15 h / 20 °C

2: pyridine / 0.5 h / Heating

3: aq. TFA / CH₂Cl₂ / 3 h / 20 °C

With pyridine; trifluoroacetic acid; In 1,2-dimethoxyethane; dichloromethane; 1: Condensation / 2: Condensation; Cyclization / 3: Deprotection;

DOI:10.1021/jm990229t

Reference yield:

2-(2,4-dichloro-phenyl)-N-hydroxy-acetamidine (333748-88-2,691411-72-0) → {3-carbamoyl-1-[3-(2,4-dichloro-benzyl)-[1,2,4]oxadiazol-5-yl]-propyl}-carbamic acid tert-butyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: 1,2-dimethoxy-ethane / 15 h / 20 °C

2: pyridine / 0.5 h / Heating

With pyridine; In 1,2-dimethoxyethane; 1: Condensation / 2: Condensation; Cyclization;

DOI:10.1021/jm990229t

upstream raw materials:

2,4-Dichlorophenylacetonitrile

Downstream raw materials:

3-(2,4-dichloro-benzyl)-5-methyl-2⁽⁴⁾,5-dihydro-[1,2,4]oxadiazole

Refernces