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Monday, 31 August 2015

Synthesis, physicochemical and biological evaluation of 2-amino-5-chlorobenzophenone derivatives as potent skeletal muscle relaxants


 

Rajesh Singh

M. Pharm., PhD, AIC
Professor (Assistant)

About

Dr Singh, educational qualifications from Panjab Univ., Chandigarh, GATE (2003) with 92.26 percentile, elected member of Association of Institution of Chemist (AIC), above 9 years of teaching experience and guided 16 PG students. He has to his credit > than 35 scientific research papers in reputed referred indexed journals, 40 res. presen., 1 book, 6 best paper presentation awards and 5 res. projects funded by PSCST, Chd. He is registered Pharmacist of Punjab State and life member of APTI.

Important pharmacophore of 1,4-benzodiazepine nucleus.
Figure 1.
Important pharmacophore of 1,4-benzodiazepine nucleus.




Synthesis of 2-amino-5-chloro-benzophenone derivatives (3a–3g)
Scheme 1.
Synthesis of 2-amino-5-chloro-benzophenone derivatives (3a3g)

2.3.3. 2-(4′-Chloroanilino)acetamido-5-chlorobenzophenone (3a)

IR (KBr cm−1): 3346 (Sec N–H str), 3100 (Aromatic C–H str), 2984 (Aliphatic C–H str), 1661 (Cdouble bond; length as m-dashO str), 1487 (Aromatic Cdouble bond; length as m-dashC str), 1229 (C–N str) and 761 (C–Cl str) 1H NMR (DMSO-d6 1δ ppm): 4.19 (s, 2H, –COCH2N), 7.26–8.60 (m, 12H, Ar–H) and 11.46 (br s, 1H, –NHCOCH2–) Anal. Calcd. for C21H16 N2O2Cl2: C, 63.17; H, 4.04; N, 7.02; Found: C, 63.07; H, 4.02; N, 7.09.

 1H NMR PREDICT





Volume 8, Issue 3, May 2015, Pages 307–312

Original article

Synthesis, physicochemical and biological evaluation of 2-amino-5-chlorobenzophenone derivatives as potent skeletal muscle relaxants

  • Pharmaceutical Chemistry Division, Shivalik College of Pharmacy, Nangal, Rupnagar, Punjab 140126, India
Open Access funded by King Saud University
Under a Creative Commons license

Corresponding author. Tel.: +91 01887 221276, mobile: +91 9417513730; fax: +91 01887 221276   rksingh244@gmail.com
1 Present Address: Dept. of Pharmaceutical Chemistry, Laureate Institute of Pharmacy, Kathog, Kangra, Himachal Pradesh, India.


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 Pharmaceutical Chemistry Division, Shivalik College of Pharmacy, Nangal, Rupnagar, Punjab 140126, India












Dept. of Pharmaceutical Chemistry, Laureate Institute of Pharmacy, Kathog, Kangra, Himachal Pradesh, India.













 



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Sunday, 30 August 2015

Nucleophilic Aromatic Substitution of 5-fluoro-1-indanone with morpholine ......5-morpholino-1-indanone




5-Morpholino-1-indanone
.

Nucleophilic Aromatic Substitution of 5-fluoro-1-indanone with morpholine

 The synthesis was performed using standard Schlenk techniques under a nitrogen atmosphere.  To a dried and nitrogen flushed glass microwave reaction vial was added  5-flouro-1-indanone (0.101 g, 0.67 mmol).  The vial's atmosphere was cycled four times. Morpholine (2.0 mL, 0.023 mol, 3.47 equivs.) was added, The reaction was then sealed and heated to 100 oC for 20 hours under variable watt microwave heating.  At the completion of the reaction the crude material was transferred to a 50 mL round bottom flask using 3.5 mL ethyl acetate. Silica and ethyl acetate (4.5 mL) were added to the flask and the solvent was removed under reduced pressure to yield a free flowing dry load.  The crude product was then subjected to purification via flash chromatography (75 : 25 ethyl acetate : hexanes) to yield a red solid (144 mg, 98.7%).

1H NMR:  (CDCl3) δ ppm 2.59-2.62 (m, 2H), 3.01 (t, J=5.7 Hz, 2H), 3.30 (t, J=5.0 Hz, 4H), 3.83 (t, J=4.7 Hz, 4H), 6.78 (m, 6.78-6.79, 1H), 6.83-6.86 (m, 1H), 7.61 (d, J=8.8 Hz, 1H).

13C NMR:  (CDCl3) δ ppm 25.8, 36.3, 47.6, 66.4, 109.7, 114.0, 124.9, 128.2, 155.8, 157.7, 204.9

GCMS EI [M+]  Predicted: 217.2, Actual: 217


see


5-morpholino-1-indanone-1H.pdf
5-morpholino-1-indanone-13C.pdf
GCMS Data 5-morpholino-1-indanone.pdf

GCMS EI [M+]  Predicted: 217.2, Actual: 217


HELP TO INTERPRET USING RELATED 
MOLECULES.....U CAN LEARN

SOME OTHER INDANONES
Chern, C.-Y.; Yek, Y.-L.; Chen, Y.-L.; Kan, W.-M. J. Chin. Chem. Soc. 200855, 846–853.
Dinges, J.; Albert, D.H.; Arnold, L.D.; Ashworth, K.L.; et al J. Med Chem. 2007, 50, 2011-2029

 

2D NMR Workshop 2011
The resonance assignment of 2-ethyl-1-indanone 










References

Chern, C.-Y.; Yek, Y.-L.; Chen, Y.-L.; Kan, W.-M. J. Chin. Chem. Soc. 2008, 55, 846–853.

Dinges, J.; Albert, D.H.; Arnold, L.D.; Ashworth, K.L.; et al J. Med Chem. 2007, 50, 2011-2029

Saturday, 29 August 2015

Total Synthesis of (−)-Conolutinine

Figure

 Figure


The first enantioselective synthesis of (−)-conolutinine was achieved in 10 steps. The synthesis featured a catalytic asymmetric bromocyclization of tryptamine to forge the tricycle intermediate. Hydration of an alkene catalyzed by Co(acac)2 was also employed as a key step to diastereoselectively introduce the tertiary alcohol moiety. The absolute configuration of (−)-conolutinine was established to be (2S,5aS,8aS,13aR) based on this asymmetric total synthesis.










Total Synthesis of (−)-Conolutinine

Shaanxi Key Laboratory of Natural Products & Chemical Biology, College of Science, Northwest A&F University, 22 Xinong Road, Yangling 712100, Shaanxi, China
State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Drug Discovery for Metabolic Diseases, Center of Drug Discovery, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, China
§ State Key Laboratory of Bioorganic & Natural Products Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Lu, Shanghai 200032, China
Org. Lett., Article ASAP
DOI: 10.1021/acs.orglett.5b02046
http://pubs.acs.org/doi/abs/10.1021/acs.orglett.5b02046
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Tuesday, 11 August 2015

Multistep Flow Synthesis of 5-Amino-2-aryl-2H-[1,2,3]-triazole-4- carbonitriles


Using the Uniqsis FlowSyn flow chemistry system researchers from the UCB Biopharma. Belgium have developed a flow synthesis of 2-substituted 1,2,3-triazoles that demonstrates improvements over the conventional batch route.

The route involves the diazotisation of anilines and condensation with malononitrile followed by the nucleophilic addition of ammonia or an alkylamine and finally a novel copper catalysed cyclisation. The intermediate azide was generated and consumed in situ which enabled safe scale up under the flow-through conditions employed.

Monday, 20 July 2015

8-Oxo-5-aza-spiro[2.5]octane-5-carboxylic acid benzyl ester,






 
 1H NMR
 
 STRUCTURE4=             



STRUCTURE5=


 
 





1H NMR PREDICT



.......................................
13C NMR PREDICT



...................

8-Oxo-5-aza-spiro[2.5]octane-5,7-dicarboxylic acid 5 benzyl ester 7 methyl ester
COMPD 5

SYNTHESIS CONSTRUCTION BY WORLDDRUGTRACKER.........EXCLUSIVE




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