(3,4-Diaminophenyl) (2-thienyl) ketone

Base Information

• Chemical Name: (3,4-Diaminophenyl) (2-thienyl) ketone
• CAS No.: 83846-78-0
• Molecular Formula: C11H10 N2 O S
• Molecular Weight: 218.279
• Hs Code.: 2934999090
• European Community (EC) Number: 281-057-0
• DSSTox Substance ID: DTXSID20232745
• Nikkaji Number: J264.941A
• Wikidata: Q83113873
• Mol file: 83846-78-0.mol

Synonyms:83846-78-0;(3,4-Diaminophenyl) (2-thienyl) ketone;(3,4-diaminophenyl)-thiophen-2-ylmethanone;EINECS 281-057-0;(3,4-Diaminophenyl)thiophen-2-ylmethanone;SCHEMBL8291933;DTXSID20232745;(3,4-Diaminophenyl)(2-thienyl)ketone;(3,4-Diaminophenyl)(2-thienyl)methanone #;Methanone, (3,4-diaminophenyl)-2-thienyl-

Chemical Property of (3,4-Diaminophenyl) (2-thienyl) ketone

Chemical Property:

• Vapor Pressure: 1.05E-08mmHg at 25°C
• Boiling Point: 461.7°C at 760 mmHg
• Flash Point: 233°C
• PSA: 97.35000
• Density: 1.35g/cm³
• LogP: 3.30590
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.05138412
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(=O)C2=CC(=C(C=C2)N)N

Technology Process of (3,4-Diaminophenyl) (2-thienyl) ketone

There total 4 articles about (3,4-Diaminophenyl) (2-thienyl) ketone 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: 99.7%

(3,4-dinitrophenyl)(thiophen-2-yl)methanone (1438897-51-8) → (3,4-diaminophenyl)(thiophen-2-yl)methanone (83846-78-0)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; water; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ja311756u

Reference yield:

3,4-dinitrobenzoic acid (528-45-0) → (3,4-diaminophenyl)(thiophen-2-yl)methanone (83846-78-0)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 5 h / 60 °C / Inert atmosphere

2: aluminum (III) chloride / dichloromethane / 5 h / 60 °C / Inert atmosphere

3: tin(II) chloride dihdyrate; water / ethanol / 12 h / 80 °C / Inert atmosphere

With aluminum (III) chloride; thionyl chloride; tin(II) chloride dihdyrate; water; In ethanol; dichloromethane;

DOI:10.1021/jm301891t

Reference yield:

3,4-dinitrobenzoyl chloride (24376-18-9) → (3,4-diaminophenyl)(thiophen-2-yl)methanone (83846-78-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / dichloromethane / 5 h / 60 °C / Inert atmosphere

2: tin(II) chloride dihdyrate; water / ethanol / 12 h / 80 °C / Inert atmosphere

With aluminum (III) chloride; tin(II) chloride dihdyrate; water; In ethanol; dichloromethane;

DOI:10.1021/jm301891t

upstream raw materials:

3,4-dinitrobenzoic acid

3,4-dinitrobenzoyl chloride

(3,4-dinitrophenyl)(thiophen-2-yl)methanone

Downstream raw materials:

[5-(thiophene-2-carbonyl)-1⁽³⁾H-benzoimidazol-2-yl]-carbamic acid 2-phenoxy-ethyl ester

[5-(thiophene-2-carbonyl)-1⁽³⁾H-benzoimidazol-2-yl]-carbamic acid benzyl ester

[5-(thiophene-2-carbonyl)-1⁽³⁾H-benzoimidazol-2-yl]-carbamic acid 2-phenoxy-propyl ester

Refernces

• 1、 Hong, Seunghee,Kim, Jinhee,Yun, Sun-Mi,Lee, Hyunseung,Park, Yoonsu,Hong, Soon-Sun,Hong, Sungwoo. "Discovery of new benzothiazole-based inhibitors of breakpoint cluster region-abelson kinase including the T315i mutant". . p. 3531 - 3545. Retrieved 2013/06/27.
• 2、 Raeymackers,Van Gelder,Roevens,Janssen. "Synthesis and anthelminthic acitivity of alkyl-(5-acyl-1-benzimidazol-2-yl) carbamates". . p. 586 - 594. Retrieved 2007/10/05.