[ CAS No. 5805-39-0 ]

Name: 5805-39-0|2-(1H-Benzo[d]imidazol-2-yl)aniline|95%
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SKU: A348459
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Quality Control of [ 5805-39-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 5805-39-0 ]

Product Details of [ 5805-39-0 ]

CAS No. :	5805-39-0	MDL No. :	MFCD00051496
Formula :	C₁₃H₁₁N₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YWNXHTNWOQHFRL-UHFFFAOYSA-N
M.W :	209.25	Pubchem ID :	79869
Synonyms :

Calculated chemistry of [ 5805-39-0 ]

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	15
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	65.93
TPSA :	54.7 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.7
Log Po/w (XLOGP3) :	2.56
Log Po/w (WLOGP) :	2.82
Log Po/w (MLOGP) :	2.2
Log Po/w (SILICOS-IT) :	2.84
Consensus Log Po/w :	2.42

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.38
Solubility :	0.0877 mg/ml ; 0.000419 mol/l
Class :	Soluble
Log S (Ali) :	-3.36
Solubility :	0.0921 mg/ml ; 0.00044 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.08
Solubility :	0.00176 mg/ml ; 0.00000841 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.74

Safety of [ 5805-39-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 5805-39-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 5805-39-0 ]

[ 5805-39-0 ] Synthesis Path-Downstream 1~34

1
[ 72875-83-3 ]
[ 5805-39-0 ]
[ 76618-05-8 ]

Reference： [1]Pharmazie,1980,vol. 35,p. 400 - 401

2
[ 5805-39-0 ]
[ 98-88-4 ]
[ 28381-92-2 ]

Yield	Reaction Conditions	Operation in experiment
82%	In acetic anhydride; acetic acid Heating;

Reference： [1]Vostrova, L. N.; Voronina, T. A.; Karaseva, T. L.; Gernega, S. A.; Ivanov, E. I.; et al. [Pharmaceutical Chemistry Journal, 1986, vol. 20, # 6, p. 404 - 406][Khimiko-Farmatsevticheskii Zhurnal, 1986, vol. 20, # 6, p. 690 - 693]

3
[ 5805-39-0 ]
[ 24964-76-9 ]
6-propylbenzimidazo<1,2-c>quinazoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
87%	In N,N-dimethyl-formamide; at 100℃; for 12h;	General procedure: The magnetically stirred mixture of 4a (0.41 g, 2.5 mmol) and triethyl orthoformate (0.3 g, 5 mmol, 2 equiv) in DMF (2.5 mL) was treated at 100 C (oil bath) for 12 h. The crude reaction mixture was poured into crushed ice (10 g) and the precipitated solid was filtered to obtain 6a as white solid.

Reference： [1]Synthetic Communications,1999,vol. 29,p. 2617 - 2624
[2]Bioorganic Chemistry,2020,vol. 99

4
[ 5805-39-0 ]
[ 78-39-7 ]
[ 66373-63-5 ]

Yield	Reaction Conditions	Operation in experiment
92%	In N,N-dimethyl-formamide at 100℃; for 12h;	4.1.3. Typical experimental procedure for the synthesis ofbenzimidazoquinazoline. Synthesis of 6a [60] General procedure: The magnetically stirred mixture of 4a (0.41 g, 2.5 mmol) and triethyl orthoformate (0.3 g, 5 mmol, 2 equiv) in DMF (2.5 mL) was treated at 100 °C (oil bath) for 12 h. The crude reaction mixture was poured into crushed ice (10 g) and the precipitated solid was filtered to obtain 6a as white solid.
89%	In N,N-dimethyl acetamide for 0.1h; Irradiation;
82%	for 0.1h; Microwave irradiation; Neat (no solvent);

Reference： [1]Chakraborti, Asit K.; Dhameliya, Tejas M.; Jadhavar, Pradeep S.; Krishna, Vagolu Siva; Patel, Kshitij I.; Saha, Nirjhar; Sriram, Dharmarajan; Vaja, Maulikkumar D. [Bioorganic Chemistry, 2020, vol. 99]
[2]Khajavi, Mohammad S.; Rad-Moghadam, Kurosh; Hazarkhani, Hasan [Synthetic Communications, 1999, vol. 29, # 15, p. 2617 - 2624]
[3]Location in patent: experimental part Davoodnia [Asian Journal of Chemistry, 2010, vol. 22, # 2, p. 1591 - 1594]

5
[ 5805-39-0 ]
[ 1663-61-2 ]
[ 28381-92-2 ]

Yield	Reaction Conditions	Operation in experiment
92%	In N,N-dimethyl acetamide for 0.1h; Irradiation;

Reference： [1]Khajavi, Mohammad S.; Rad-Moghadam, Kurosh; Hazarkhani, Hasan [Synthetic Communications, 1999, vol. 29, # 15, p. 2617 - 2624]

6
[ 93634-54-9 ]
[ 5805-39-0 ]
[ 66373-63-5 ]
6-(4-methyl-benzylidene)-5,6-dihydro-benzo[4,5]imidazo[1,2-<i>c</i>]quinazoline [ No CAS ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,2001,vol. 40,p. 430 - 432

7
[ 5805-39-0 ]
[ 57427-78-8 ]
[ 28381-92-2 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
0.1 g	In acetic acid at 20℃; for 0.5h;

Reference： [1]Prameela Subhashini; Hanumanthu [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 5, p. 430 - 432]

8
[ 5805-39-0 ]
[ 3006-41-5 ]
(2R,4aR,6S,7R,8R,8aS)-6-[2-(1H-Benzoimidazol-2-yl)-phenylamino]-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxine-7,8-diol [ No CAS ]

Reference： [1]Carbohydrate Research,2001,vol. 334,p. 261 - 269

9
[ 5805-39-0 ]
[ 2602-85-9 ]
6-(benzothiazol-2-yl)benzo[4,5]imidazo[1,2-c]quinazoline [ No CAS ]

Reference： [1]Tetrahedron,2003,vol. 59,p. 773 - 779

10
[ 5805-39-0 ]
[ 943-03-3 ]
6-(6-methoxybenzothiazol-2-yl)benzo[4,5]imidazo[1,2-c]quinazoline [ No CAS ]

Reference： [1]Tetrahedron,2003,vol. 59,p. 773 - 779

11
[ 4494-18-2 ]
[ 5805-39-0 ]
N₁-[(E)-1-(1-isoquinolyl)methylidene]-2-(1H-benzo[d]imidazol-2-yl)aniline [ No CAS ]

Reference： [1]Journal of the Brazilian Chemical Society,2010,vol. 21,p. 49 - 57

12
[ 220227-84-9 ]
[ 5805-39-0 ]
[ 1232007-91-8 ]

Yield	Reaction Conditions	Operation in experiment
58%	With pyridine at 130℃; for 0.05h; Microwave irradiation; Inert atmosphere;

Reference： [1]Rouffet, Matthieu; De Oliveira, Cesar Augusto F.; Udi, Yael; Agrawal, Arpita; Sagi, Irit; McCammon, J. Andrew; Cohen, Seth M. [Journal of the American Chemical Society, 2010, vol. 132, # 24, p. 8232 - 8233]

13
[ 18336-39-5 ]
[ 5805-39-0 ]
[ 1232008-24-0 ]

Yield	Reaction Conditions	Operation in experiment
49%	With pyridine at 130℃; for 0.05h; Microwave irradiation; Inert atmosphere;

14
[ 5805-39-0 ]
[ 60230-36-6 ]
[ 1232008-07-9 ]

Reference： [1]Journal of the American Chemical Society,2010,vol. 132,p. 8232 - 8233

15
[ 5805-39-0 ]
[ 63624-28-2 ]
2-(2'-(2,4-dimethoxyphenyl)sulfonamidophenyl)benzimidazole [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2010,vol. 132,p. 8232 - 8233

16
[ 5805-39-0 ]
[ 82964-91-8 ]
[ 1232008-04-6 ]

Yield	Reaction Conditions	Operation in experiment
98%	With pyridine at 130℃; for 0.05h; Microwave irradiation; Inert atmosphere;

17
[ 5805-39-0 ]
[ 91170-93-3 ]
[ 1022716-09-1 ]

Yield	Reaction Conditions	Operation in experiment
83%	With pyridine at 130℃; for 0.05h; Microwave irradiation; Inert atmosphere;

18
[ 5805-39-0 ]
[ 349149-08-2 ]
[ 1418527-85-1 ]

Yield	Reaction Conditions	Operation in experiment
90%	In ethanol for 6h; Reflux;	2. Synthesis of compound 1 Compound 2 (160 mg, 0.77mmol) and 3 (200 mg, 0.64 mmol) were dissolved in 50 mL of absolute ethanol and heated to reflux for 6 h. The solvent was removed under reduced pressure. The crude solid was recrystallized from ethanol to give pale yellow brick-like crystals. The crystals were collected by filtration, washed with ethanol and dried under vacuum to give 1. Yield: 90%. M.p. 225.2-227.5 oC. 1H NMR (400 MHz, DMSO-d6): δ 9.55 (d, 1H), 8.82 (d, 1H), 8.01 (t, 1H, J1=8.0 Hz, J2 = 16 Hz), 7.94-7.86 (m, 2H), 7.70-7.61 (m, 2H), 7.56-7.34 (m, 4H), 7.31-7.01 (m, 8H), 6.97-6.83 (m, 4H), 7.16-7.11 (m, 3H). 13C NMR (100 MHz, DMSO-d6): δ 154.5, 151.1, 150.7, 147.9, 144.3, 144.0, 134.6, 131.9, 130.1, 128.6, 128.0, 127.1, 126.5, 125.1, 124.8, 124.4, 123.6, 122.7, 122.3, 119.1, 118.6, 115.3, 113.5, 112.4, 111.3, 110.9, 65.2, 64.4. HRMS (ESI+) cacld for C34H24N3O2 [M+H]+ 506.1869, found 506.1877.

Reference： [1]Tang, Lijun; Wang, Nannan; Zhang, Qiang; Guo, Jiaojiao; Nandhakumar, Raju [Tetrahedron Letters, 2013, vol. 54, # 6, p. 536 - 540]

19
[ 5805-39-0 ]
[ 10111-08-7 ]
6-imidazol-2-yl-5,6-dihydrobenzol[4,5]imidazo[1,2-c]quinazoline [ No CAS ]

Reference： [1]RSC Advances,2013,vol. 3,p. 20984 - 20989

20
[ 5805-39-0 ]
[ 99163-12-9 ]
6-(4-(pyridine-4-yl)phenyl)-5,6-dihydrobenzo-[4,5]-imidazo-[1,2-c]quinazoline [ No CAS ]

Reference： [1]RSC Advances,2014,vol. 4,p. 55967 - 55970

21
[ 5805-39-0 ]
[ 1002-28-4 ]
C₁₉H₂₁N₃O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
69%	With (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate In methanol at 80℃; for 36h; Inert atmosphere;

Reference： [1]Bansode, Avinash H.; Shaikh, Aslam C.; Kavthe, Rahul D.; Thorat, Shridhar; Gonnade, Rajesh G.; Patil, Nitin T. [Chemistry - A European Journal, 2015, vol. 21, # 6, p. 2319 - 2323]

22
[ 5805-39-0 ]
[ 1002-28-4 ]
C₁₉H₁₉N₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%	With platinum(IV) chloride In methanol at 100℃; for 48h; Inert atmosphere;

Reference： [1]Bansode, Avinash H.; Shaikh, Aslam C.; Kavthe, Rahul D.; Thorat, Shridhar; Gonnade, Rajesh G.; Patil, Nitin T. [Chemistry - A European Journal, 2015, vol. 21, # 6, p. 2319 - 2323]

23
[ 1734-79-8 ]
[ 5805-39-0 ]
6-[2-(4-nitro-phenyl)vinyl]-5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
90%	In ethanol for 6h; Reflux;	2.1. Preparation of 6-[2-(4-nitro-phenyl)vinyl]-5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazo-line (L) To the ethanolic solution of 2-(2-aminophenyl)benzimidazole(0.209 g, 1.0 mmol) 4-nitro cinnamaldehyde (0.177 g, 1.0 mmol) wasadded dropwise at room temperature with continuous stirring. Thenthe resulting reaction mixture was refluxed for 6.0 h. After reducingthe solvent on a rotary evaporator a slight yellow coloured precipitatewas collected through filtration followed by washing with hot ethanolto remove the unreacted reactants. The precipitate was recrystallisedfrom methanol for purification and was used throughout the experimentand characterisation.

Reference： [1]Mukherjee, Manjira; Sen, Buddhadeb; Pal, Siddhartha; Maji, Abhishek; Budhadev, Darshita; Chattopadhyay, Pabitra [Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2016, vol. 157, p. 11 - 16]

24
[ 5805-39-0 ]
[ 14542-93-9 ]
C₂₂H₂₆N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%	With dipotassium peroxodisulfate; sodium acetate; cobalt(II) diacetate tetrahydrate In N,N-dimethyl-formamide at 80℃; for 12h;
61%	With tert.-butylhydroperoxide; iodine In 1,4-dioxane at 100℃; for 12h; Green chemistry;	2.2. General procedure for the synthesis of benzoimidazoquinazoline amines (3) General procedure: Isocyanide (0.75 mmol) was added to a stirred solution of 2-(1Hbenzo[d]imidazol-2-yl)aniline (0.5 mmol), I2 (0.1 mmol) and TBHP (70% aqueous solution, 1 mmol) in 1,4-dioxane (1 mL). The mixture was then kept under stirring at 100 °C for 12 h. After that, the concentrated residue was purified by the column chromatography over silica gel using n-hexane/ethyl acetate (4:1) as eluent to give the desired product 3.

Reference： [1]Ahmadi, Fereshteh; Bazgir, Ayoob [RSC Advances, 2016, vol. 6, # 66, p. 61955 - 61958]
[2]Ahmadi, Fereshteh; Ahmadi, Nafiseh; Balmohammadi, Yaser; Bazgir, Ayoob; Naimi-Jamal, Mohammad Reza [Catalysis Communications, 2021, vol. 157]

25
[ 5805-39-0 ]
[ 134-96-3 ]
4-(5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazolin-6-yl)-2,6-dimethoxyphenol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
97%	With acetic acid In ethanol for 6h; Cooling with ice;	1 Example 1 Preparation of 4-(5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazolin-6-yl)-2,6-dimethoxyphenol (1) 2.09 g (10.0 mmol) of 2-(2-aminophenyl)-1H-benzimidazole And 1.82 g (10.0 mmol) of 3,5-dimethoxy-4-hydroxybenzaldehyde, 30 mL of absolute ethanol was mixed in a 100 mL Erlenmeyer flask, Yellow clear solution, Ice bath, Add acetic acid to adjust the pH value to 3. Reaction for 6 hours, The reaction liquid was precipitated as a colorless solid, Reaction is completed, filter, To give 3.70 g (97%) of the title compound, As a colorless solid.
90%	With acetic acid In methanol for 0.25h; Microwave irradiation;	2.3.1. General microwave-assisted method General procedure: Microwave-assisted synthesis was performed. Studied aldehydes(1.2 mmol) were dissolved in methanol (1 mL) and then slowly added to 5mL of a hot solution of 2-(2-aminophenyl)-1H-benzimidazole(1 mmol, 0.210 g) inside 10 mL microwave tubes.The reaction mixture was irradiated with a single-mode bench top microwave instrument after acidifying with a catalytic amount of glacial acetic acid. Only 5e15 min were required to finish the reaction at 102 °C as evident by TLC. Synergy software was used to monitor the reaction progress. After the reaction completion, thevial cooled down to 25 °C. Thereafter, it was dried by the vacuumed oven and washed with a suitable solvent to obtain a pure product with higher yield of 82-98% (0.25e0.33 g). Crystals were grown by slow evaporation of the solvent

Reference： [1]Current Patent Assignee: CAPITAL MEDICAL UNIVERSITY - CN106349244, 2017, A Location in patent: Paragraph 0017; 0018
[2]Hasan, Hiba Ali; Abdulmalek, Emilia; Saleh, Tawfik A.; Abdul Rahman, Mohd Basyaruddin; Shaari, Khozirah Binti; Yamin, Bohari Mohd; Chan, Kim Wei [Journal of Molecular Structure, 2019, vol. 1193, p. 482 - 494]

26
[ 5805-39-0 ]
[ 40877-09-6 ]
14a-(4-chlorophenyl)-1,2,3,14a-tetrahydrobenzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazoline [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2017,vol. 54,p. 3440 - 3446

27
[ 5805-39-0 ]
[ 4559-96-0 ]
14a-(4-bromophenyl)-1,2,3,14a-tetrahydrobenzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazoline [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2017,vol. 54,p. 3440 - 3446

28
[ 5805-39-0 ]
[ 40877-19-8 ]
14a-(4-methoxyphenyl)-1,2,3,14a-tetrahydrobenzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
90%	With iodine at 80℃; for 10h; Ionic liquid;

Reference： [1]Wang, Yue; Liu, Jian-Quan; Wang, Xiang-Shan [Journal of Heterocyclic Chemistry, 2017, vol. 54, # 6, p. 3440 - 3446]

29
[ 5805-39-0 ]
[ 616-76-2 ]
5-(5,6-dihydrobenzimidazolo[1,2-c]-quinazolin-6-yl)salicylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
99%	With acetic acid; In ethanol; at 20℃; for 8h;Sonication;	Weigh 830mg (5mmol) of 5-formyl-salicylic acid in a 100mL round bottom flask, add 40mL of absolute ethanol, and dissolve it by ultrasonication. If it is insoluble, add 2mL DMF to help dissolve.A clear clear solution was obtained, and 1045 mg (5 mmol) of 2-(2-amino-phenyl-1-yl)-benzimidazole was added portionwise to the obtained solution, and stirred at room temperature for 8 hours.A green solid was precipitated from the reaction mixture, and the residue of the reaction material was observed by TLC (petroleum ether: acetone = 2:1), and filtered to give the title compound 1.76 g (99%) as a yellow green solid.

Reference： [1]Patent: CN107629056,2018,A .Location in patent: Paragraph 0021; 0022; 0023

30
[ 5805-39-0 ]
[ 6340-79-0 ]
14a-(4-bromophenyl)-1,14a-dihydrobenzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a] quinazolin-3(2H)-one [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2018,vol. 55,p. 2325 - 2333

31
[ 5805-39-0 ]
[ 50597-19-8 ]
14a-(3,4-dichlorophenyl)-1,14a-dihydrobenzo[4,5] imidazo[1,2-c]pyrrolo[1,2-a]quinazolin-3(2H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
85%	With toluene-4-sulfonic acid In toluene at 100℃;

Reference： [1]Wang, Yi-Ping; Ou, Xue-Rong; Wang, Yue; Liu, Jian-Quan; Wang, Xiang-Shan [Journal of Heterocyclic Chemistry, 2018, vol. 55, # 10, p. 2325 - 2333]

32
[ 5805-39-0 ]
[ 21487-45-6 ]
C₂₉H₂₁N₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%	With acetic acid In methanol at 70℃; for 9h;	2.5. Synthesis of the chemosensor (DIBI1) and characterization The methanolic solution (15 mL) of 2-(2-aminophenyl)-1Hbenzimidazole(0.0837 g, 0.402 mmol) was added slowly to 1,3-diphenyl-1H-pyrazole-4-carboxaldehyde (0.1 g, 0.402mmol) in methanolin the presence of 1-2 drops of glacial acetic acid, and the mixturewas refluxed for about 9 h at 70 °C. The solid product was collected byslow evaporation and washed several times with PET ether. The obtained colorless feathery product was then recrystallized usingchloroform-methanol mixture. Yield: 0.145 g (82%). 1H NMR(300 MHz, DMSO-d6): δ 8.86 (s, 1H), 8.01-7.87 (m, 3H), 7.74-7.68 (m,2H), 7.59 (d, J = 7.9 Hz, 1H), 7.54-7.45 (m, 4H), 7.40-7.23 (m, 5H),7.09 (t, J = 7.6 Hz, 1H), 6.99-6.84 (m, 3H), 6.57 (bs, 1H). 13C NMR(75 MHz, DMSO-d6): δ 152.00, 148.59, 144.94, 144.75, 139.96, 133.86,132.92, 132.31, 130.51, 129.40, 129.27, 129.12, 127.70, 125.71, 122.83,120.16, 119.99, 119.63, 119.48, 119.28, 115.71, 113.18, 111.35, 63.41.ESI-MS m/z: calcd, 439.51 (M+); found, 440.19 (M + H+) (Figs. S1,S2, S3). IR (KBr, cm-1): ν(N-H), 3425; ν(C-H), 2926; ν(C=N),1614. Anal. calcd for C29H21N5: C 79.17, H 4.77, N 15.92%; found: C79.22, H 4.79, N 15.90%.

Reference： [1]Ganesan, Jeya Shree; Sepperumal, Murugesan; Balasubramaniem, Ashokkumar; Ayyanar, Siva [Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020, vol. 230]

33
[ 5805-39-0 ]
[ 24964-76-9 ]
6-propylnaphtho[2',3':4,5]imidazo[1,2-c]quinazoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
76%	In N,N-dimethyl-formamide; at 100℃; for 12h;	General procedure: The magnetically stirred mixture of 4a (0.41 g, 2.5 mmol) and triethyl orthoformate (0.3 g, 5 mmol, 2 equiv) in DMF (2.5 mL) was treated at 100 C (oil bath) for 12 h. The crude reaction mixture was poured into crushed ice (10 g) and the precipitated solid was filtered to obtain 6a as white solid.

Reference： [1]Bioorganic Chemistry,2020,vol. 99

34
[ 5805-39-0 ]
[ 140-10-3 ]
N-(2-(1H-benzo[d]imidazol-2-yl)phenyl)cinnamamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	Stage #1: (E)-3-phenylacrylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 2-(aminophenyl)benzimidazole In N,N-dimethyl-formamide at 20℃;	4.2. General procedure [26] for the synthesis of substituted N-(2-(1H-benzo[d]imidazol-2-yl)phenyl)cinnamamide (12a-v) General procedure: To a stirred solution of substituted cinnamic acids 11f-k (1 equiv.)in dry DMF (5 mL), EDCI (1.05 equiv.), HOBt (1.05 equiv), were addedand stirred for 30 min at room temperature. Later, 2-(1H-benzo[d]imidazol-2-yl)aniline 11a-e (1.05 equiv.) was added to the reactionmixture and allowed to stir at room temperature until consumption ofstarting material. The reaction mixture was then diluted with EtOAc(20 mL), washed with cold H2O (2 times). The organic layer was driedover Na2SO4 filtered and concentrated. The resulting residue was purifiedby column chromatography using EtOAc/Hexane to afford thefinal compounds 12a-v. 4.2.1. N-(2-(1H-Benzo[d]imidazol-2-yl)phenyl)cinnamamide (12a)Off-white solid; Yield: 80%, 60 mg; M.p: 190-192 °C; FT-IR (cm-1):3360.5, 3014.5, 2936.5, 1740.5, 1610, 1585, 1350, 1050; 1H NMR(500 MHz, DMSO-d6): δ 13.47 (s, 1H), 13.21 (s, 1H), 8.86 (d,J = 8.3 Hz, 1H), 8.17 (d, J = 7.8 Hz, 1H), 7.82 (d, J = 6.9 Hz, 2H),7.75 (m, 2H), 7.57-7.41 (m, 5H), 7.3-7.24 (m, 3H), 6.93 (d,J = 15.6 Hz, 1H). 13C NMR (125 MHz, DMSO-d6): δ 164.5, 151.4,141.2, 139.0, 134.8, 131.2, 130.5, 129.5, 128.6, 127.8, 123.5, 123.3,120.6, 116.0. HRMS (ESI): m/z calculated for [M+H]+ C22H18N3O:340.1450 found 340.1453.

Reference： [1]Anchi, Pratibha; Donthiboina, Kavitha; Godugu, Chandraiah; Gurram, Sowmyasree; Kamal, Ahmed; Lakshmi Uppu, Jaya; Sai Mani, Geeta; Shankaraiah, Nagula [Bioorganic Chemistry, 2020, vol. 103]

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[ CAS No. 5805-39-0 ]

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[ 5805-39-0 ] Synthesis Path-Downstream 1~34

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