CID 2735959

Base Information

• Chemical Name: CID 2735959
• CAS No.: 261761-55-1
• Molecular Formula: C7H6 Cl2 N2 O
• Molecular Weight: 205.043
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID80371048
• Mol file: 261761-55-1.mol

Synonyms:261761-55-1;2,3-dichloro-N'-hydroxybenzenecarboximidamide;(Z)-2,3-dichloro-N'-hydroxybenzimidamide;Maybridge1_008305;DTXSID80371048;OPOPCNCEDLBYPV-UHFFFAOYSA-N;2,3-dichloro-N-hydroxybenzenecarboximidamide;FT-0609568

Chemical Property of CID 2735959

Chemical Property:

• Melting Point: 141-144
• Boiling Point: 386.7oC at 760 mmHg
• Flash Point: 187.7oC
• PSA: 58.61000
• Density: 1.52g/cm3
• LogP: 2.78820
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.9857182
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Dichloro-N''-hydroxybenzenecarboximidamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C(=NO)N

Technology Process of CID 2735959

There total 3 articles about CID 2735959 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: 95.0%

→ 2,3-dichloro-N'-hydroxybenzenecarboximidamide (261761-55-1)

Guidance literature:

Reference yield: 82.3%

2,3-dichlorobenzonitrile (6574-97-6) → 2,3-dichloro-N'-hydroxybenzenecarboximidamide (261761-55-1)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; at 70 ℃; for 8h;

DOI:10.1002/cbdv.201800599

Reference yield:

2-chloro-3,6-difluoro-benzonitrile (886501-33-3) → 2,3-dichloro-N-hydroxybenzenecarboximidamide (261761-55-1)

Guidance literature:

2-chloro-3,6-difluoro-benzonitrile; With hydroxylamine hydrochloride; triethylamine; In ethanol; at 75 ℃; for 18h;

With hydrogenchloride; In water; pH=7;

upstream raw materials:

2,3-dichlorobenzonitrile

2-chloro-3,6-difluoro-benzonitrile

Downstream raw materials:

3-(2,3-dichloro-phenyl)-5-{(E)-2-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]-vinyl}-1,2,4-oxadiazole trifluoroacetate

Refernces

• 1、 -. "PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE". Page/Page column 206. . Retrieved 2016/06/01.
• 2、 -. "NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS". Page/Page column 118. . Retrieved 2008/06/13.