[ CAS No. 87233-54-3 ] {[proInfo.proName]}

Name: 87233-54-3|2-Chloro-1-(2-ethoxyethyl)-1H-benzo[d]imidazole|95%
Brand: Ambeed
SKU: A654906
Rating: 94 (32 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

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Limited Quantity	USD 15-60
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Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

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3d Animation Molecule Structure of 87233-54-3

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Quality Control of [ 87233-54-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 87233-54-3 ]

SDS Specification

Alternatived Products of [ 87233-54-3 ]

Product Details of [ 87233-54-3 ]

CAS No. :	87233-54-3	MDL No. :	MFCD09751159
Formula :	C₁₁H₁₃ClN₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AIQPWDHVCUXRBI-UHFFFAOYSA-N
M.W :	224.69	Pubchem ID :	10489356
Synonyms :

Calculated chemistry of [ 87233-54-3 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.36
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	61.51
TPSA :	27.05 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.86 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.54
Log Po/w (XLOGP3) :	2.55
Log Po/w (WLOGP) :	2.73
Log Po/w (MLOGP) :	1.9
Log Po/w (SILICOS-IT) :	2.57
Consensus Log Po/w :	2.46

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.02
Solubility :	0.215 mg/ml ; 0.000956 mol/l
Class :	Soluble
Log S (Ali) :	-2.77
Solubility :	0.386 mg/ml ; 0.00172 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.05
Solubility :	0.02 mg/ml ; 0.0000889 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.08

Safety of [ 87233-54-3 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501	UN#:	2810
Hazard Statements:	H301-H311-H331	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 87233-54-3 ]

* 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 [ 87233-54-3 ]

[ 87233-54-3 ] Synthesis Path-Downstream 1~67

1
[ 505-66-8 ]
[ 87233-54-3 ]
[ 101954-20-5 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

2
[ 109-01-3 ]
[ 87233-54-3 ]
[ 87233-65-6 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

3
[ 7154-73-6 ]
[ 87233-54-3 ]
[ 110963-49-0 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

4
[ 4318-37-0 ]
[ 87233-54-3 ]
[ 87233-61-2 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In methanol; ethyl acetate;	Combine 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole (22.3 g, 99.4 mmol), 1-methyl[1,4]diazepane (19 mL, 152.8 mmol), and triethylamine (75 mL). Heat to 70 C. After 18 hours, add 1-methyl[1,4]diazepane (10 mL) and continue to heat at reflux. After 96 hours, cool to ambient temperature and partition the reaction mixture between water and ethyl acetate. Separate the layers and extract the organic layer with a saturated aqueous sodium bicarbonate solution and then brine. Dry the organic layer over MgSO4, filter, and evaporate in vacuo to give a residue. Chromatograph the residue on silica gel eluding sequentially with 50% ethyl acetate/hexane and then 10% methanol/dichloromethane to give 1-methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane: Rf=0.52 (silica gel, dichloromethane/methanol/concentrated aqueous ammonia, 90/10/0.1).
	With triethylamine; In methanol; ethyl acetate;	Combine 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole (22.3 g, 99.4 mmol), 1-methyl[1,4]diazepane (19 mL, 152.8 mmol), and triethylamine (75 mL). Heat to 70 C. After 18 hours, add 1-methyl[1,4]diazepane (10 mL) and continue to heat at reflux. After 96 hours, cool to ambient temperature and partition the reaction mixture between water and ethyl acetate. Separate the layers and extract the organic layer with a saturated aqueous sodium bicarbonate solution and then brine. Dry the organic layer over MgSO4, filter, and evaporate in vacuo to give a residue. Chromatograph the residue on silica gel eluding sequentially with 50% ethyl acetate/hexane and then 10% methanol/dichloromethane to give 1-methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane: Rf =0.52 (silica gel, dichloromethane/methanol/concentrated aqueous ammonia, 90/10/0.1).

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183
[2]Patent: US6194406,2001,B1
[3]Patent: US5932571,1999,A

5
[ 41838-46-4 ]
[ 87233-54-3 ]
[ 110963-35-4 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

6
[ 626-58-4 ]
[ 87233-54-3 ]
[ 110963-33-2 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

7
[ 34376-54-0 ]
[ 87233-54-3 ]
[ 122440-06-6 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1989,vol. 37,p. 962 - 966

8
[ 7755-92-2 ]
[ 87233-54-3 ]
[ 87233-81-6 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

9
[ 92-54-6 ]
[ 87233-54-3 ]
[ 101954-15-8 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

10
[ 2759-28-6 ]
[ 87233-54-3 ]
[ 87233-79-2 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

11
[ 50541-93-0 ]
[ 87233-54-3 ]
[ 110963-41-2 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

12
[ 101953-61-1 ]
[ 87233-54-3 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183
[2]Heterocycles,1999,vol. 51,p. 2561 - 2573

13
[ 87233-54-3 ]
[ 108-00-9 ]
[ 110963-45-6 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

14
[ 87233-54-3 ]
[ 109-55-7 ]
[ 110963-51-4 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

15
[ 87233-54-3 ]
[ 100-36-7 ]
[ 110963-47-8 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

16
[ 87233-54-3 ]
[ 104-78-9 ]
[ 110963-53-6 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

17
[ 110-91-8 ]
[ 87233-54-3 ]
1-(2-ethoxyethyl)-2-(1-morpholino)-1H-benzimidazole hydrogenchloride salt [ No CAS ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2561 - 2573

18
[ 3731-51-9 ]
[ 87233-54-3 ]
2-amino-1-(2-ethoxyethyl)-N-[(2-pyridinyl)methyl]-1H-benzimidazole [ No CAS ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2561 - 2573

19
[ 3731-52-0 ]
[ 87233-54-3 ]
2-amino-1-(2-ethoxyethyl)-N-[(3-pyridinyl)methyl]-1H-benzimidazole [ No CAS ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2561 - 2573

20
[ 87233-54-3 ]
[ 1664-40-0 ]
[ 110-17-8 ]
2-amino-1-(2-ethoxyethyl)-N-(2-phenylaminoethyl)-1H-benzimidazole hydrogen fumarate [ No CAS ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2561 - 2573

21
[ 4857-06-1 ]
[ 592-55-2 ]
[ 87233-54-3 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1999,vol. 47,p. 1573 - 1578

22
[ 87233-54-3 ]
[ 256367-01-8 ]
1-(2-ethoxyethyl)-2-[4-[4-(4-hydroxy-2,3,5-trimethylphenoxy)butyl]-1-homopiperazino]-1H-benzimidazole [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1999,vol. 47,p. 1573 - 1578

23
[ 87233-54-3 ]
4-[2-[2-(1-homopiperazino)ethoxy]ethoxy]-2,3,6-trimethylphenol [ No CAS ]
1-(2-ethoxyethyl)-2-[4-[2-[2-(4-hydroxy-2,3,5-trimethylphenoxy)ethoxy]ethyl]-1-homopiperazino]-1H-benzimidazole [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1999,vol. 47,p. 1573 - 1578

24
[ 4926-55-0 ]
[ 87233-54-3 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2561 - 2573

25
[ 95893-89-3 ]
[ 87233-54-3 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2561 - 2573
[2]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

26
[ 88-73-3 ]
potassium-<4-chloro-2-methoxy-phenolate> [ No CAS ]
[ 87233-54-3 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2561 - 2573

27
[ 95893-88-2 ]
[ 87233-54-3 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2561 - 2573
[2]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

28
[ 87233-54-3 ]
[ 87233-69-0 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

29
[ 87233-54-3 ]
[ 101954-34-1 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

30
[ 87233-54-3 ]
[ 87233-71-4 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

31
[ 87233-54-3 ]
[ 101954-22-7 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

32
[ 87233-54-3 ]
[ 101954-24-9 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

33
[ 87233-54-3 ]
[ 101954-07-8 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

34
[ 87233-54-3 ]
[ 101954-09-0 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

35
[ 87233-54-3 ]
[ 101954-26-1 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

36
[ 87233-54-3 ]
[ 87233-57-6 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

37
[ 87233-54-3 ]
[ 101954-28-3 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

38
[ 87233-54-3 ]
[ 101954-11-4 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

39
[ 87233-54-3 ]
[ 101954-13-6 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

40
[ 87233-54-3 ]
[ 101954-30-7 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

41
[ 87233-54-3 ]
[ 101954-16-9 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

42
[ 87233-54-3 ]
[ 101954-18-1 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

43
[ 88-73-3 ]
magnesium [ No CAS ]
[ 87233-54-3 ]

Reference： [1]Journal of Medicinal Chemistry,1986,vol. 29,p. 1178 - 1183

44
[ 87233-54-3 ]
[ 122484-66-6 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1989,vol. 37,p. 962 - 966

45
[ 87233-54-3 ]
[ 110963-43-4 ]

Reference： [1]Journal of Heterocyclic Chemistry,1987,vol. 24,p. 31 - 37

46
[ 4857-06-1 ]
ethyl acetate n-hexane [ No CAS ]
[ 628-34-2 ]
[ 87233-54-3 ]

Yield	Reaction Conditions	Operation in experiment
	In N-methyl-acetamide; ethyl acetate;	PREPARATION 1.2 Synthesis of 4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane Combine 2-chloro-1H-benzimidazole (21.1.4 g, 138.4 mmol) and dimethylformamide (200 mL). Add portionwise, sodium hydride (24.0 g, 60% in oil, 153.3 mmol). After 15 minutes, add 2-chloroethyl ethyl ether (21.9 g, 201,5 mmol). Heat to 60 C. After 18 hours, cool the reaction mixture and dilute with ethyl acetate. Extract with a saturated aqueous sodium bicarbonate solution, water, and then brine. Dry the organic layer over MgSO4, filter, and evaporate in vacuo to give a residue. Chromatograph the residue on silica gel eluding sequentially with 10% ethyl acetate/hexane and then 30% ethyl acetate hexane to give the 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole: Rf =0.74 (silica gel, 7/3 ethyl acetate/hexane).
	In N-methyl-acetamide; ethyl acetate;	Preparation 1.2 4-(1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane Combine 2-chloro-1H-benzimidazole (21.1.4 g, 138.4 mmol) and dimethylformamide (200 mL). Add portionwise, sodium hydride (24.0 g, 60% in oil, 153.3 mmol). After 15 minutes, add 2-chloroethyl ethyl ether (21.9 g, 201,5 mmol). Heat to 60 C. After 18 hours, cool the reaction mixture and dilute with ethyl acetate. Extract with a saturated aqueous sodium bicarbonate solution, water, and then brine. Dry the organic layer over MgSO4, filter, and evaporate in vacuo to give a residue. Chromatograph the residue on silica gel eluding sequentially with 10% ethyl acetate/hexane and then 30% ethyl acetate hexane to give the 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole: Rf=0.74 (silica gel, 7/3 ethyl acetate/hexane).

Reference： [1]Patent: US5932571,1999,A
[2]Patent: US6194406,2001,B1

47
2-hydroxy-1-(2-ethoxyethyl)-1H-benzo[d]imidazole [ No CAS ]
[ 87233-54-3 ]

Yield	Reaction Conditions	Operation in experiment
85%	With phosphorus pentachloride; In N,N-dimethyl-formamide; acetonitrile; for 1h;Reflux; Cooling with ice;	Ice bath conditions,The compound 2-hydroxy-1-ethoxyethyl-1-H-benzimidazole (206 g, 1.0 mol)Dissolved in 1 L of acetonitrile,Phosphorus pentachloride (1040 g, 5 mol) was added slowly,1 mL of DMF was added dropwise and refluxed for 1 h.After the reaction solution was lowered to room temperature, the unreacted phosphorus oxychloride was distilled off under reduced pressure, and about 600 g was distilled off. The distillation was stopped and the reaction mixture was slowly added to 1 kg of ice water under stirring. The mixture was washed with 40% sodium hydroxide The pH was adjusted to 8, extracted with ethyl acetate 500 mL x 3, washed with saturated sodium chloride (500 mL x 1), dried over anhydrous sodium sulfate and concentrated to give a pale yellow liquid (216 g, 85% yield).
	With sodium hydroxide; trichlorophosphate;	Combine 2-hydroxy-1-(2-ethoxyethyl)-1H-benzimidazole (36.4 g, 177 mmol) and phosphorous oxychloride (72 mL) and reflux. After 30 minutes, cool to ambient temperature and pour the reaction mixture onto crushed ice. Adjust the pH to about 9 using aqueous 50% sodium hydroxide solution. Extract three times with ethyl acetate. Combine the organic layers and extract with brine. Dry the organic layer over Na2SO4, filter, and evaporate in vacuo to give a residue. Chromatograph the residue on silica gel eluding with ethyl acetate to give the 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole.
	With sodium hydroxide; trichlorophosphate;	Combine 2-hydroxy-1-(2-ethoxyethyl)-1H-benzimidazole (36.4 g, 177 mmol) and phosphorous oxychloride (72 mL) and reflux. After 30 minutes, cool to ambient temperature and pour the reaction mixture onto crushed ice. Adjust the pH to about 9 using aqueous 50% sodium hydroxide solution. Extract three times with ethyl acetate. Combine the organic layers and extract with brine. Dry the organic layer over Na2 SO4, filter, and evaporate in vacuo to give a residue. Chromatograph the residue on silica gel eluding with ethyl acetate to give the 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole.

Reference： [1]Patent: CN107043355,2017,A .Location in patent: Paragraph 0053; 0054; 0068; 0069; 0083; 0084; 0098; 0099
[2]Patent: US6194406,2001,B1
[3]Patent: US5932571,1999,A

48
(+/-)-1,1-dimethylethyl trans-4-hydroxy-2-(phenylmethyl)-1-piperidinecarboxylate [ No CAS ]
[ 7646-69-7 ]
[ 87233-54-3 ]
(+/-)-1,1-dimethylethyl trans-4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]oxy]-2-(phenylmethyl)-1-piperidine-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50 g (100%)	In water; N,N-dimethyl-formamide;	EXAMPLE A11 (+-)-1,1-dimethylethyl trans-4-hydroxy-2-(phenylmethyl)-1-piperidinecarboxylate (25.6 g) was dissolved in N,N-dimethylformamide (256 ml). Sodiumhydride (4.24 g) was added and the mixture was stirred at RT for 1.5 hours. 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazol (24.8 g) was added and the mixture was stirred at 70 C. for 18 hours. The solvent was evaporated, the residue taken up in water and CH2 Cl2 and the layers were separated. The organic layer was dried, filtered and the solvent evaporated, yielding 50 g (100%) of (+-)-1,1-dimethylethyl trans-4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]oxy]-2-(phenylmethyl)-1-piperidine-carboxylate (interm 27).

Reference： [1]Patent: US6110939,2000,A

49
(+/-)-1,1-dimethylethyl trans-4-amino-2-(phenylmethyl)-1-piperidinecarboxylate [ No CAS ]
[ 87233-54-3 ]
(+/-)-1,1-dimethylethyl trans-4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]amino]-2-(phenylmethyl)-1-piperidine-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
6 g (73.7%)	With copper; In dichloromethane;	a) (+-)-1,1-dimethylethyl trans-4-amino-2-(phenylmethyl)-1-piperidinecarboxylate (5 g), <strong>[87233-54-3]1-(2-ethoxyethyl)-2-chloro-1H-benzimidazole</strong> (4.5 g) and copper (1.28 g) were stirred at 150 C. for 4 hours. The mixture was taken up in CH2 Cl2 and filtered. The filtrate was washed with water/NH3. The organic layer was dried, filtered and the solvent evaporated. The residue was purified by column chromatography over silica gel (eluent: CH2 Cl2 /(CH3 OH/NH3) 98/2). The pure fractions were collected and the solvent evaporated, yielding 6 g (73.7%) of (+-)-1,1-dimethylethyl trans-4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]amino]-2-(phenylmethyl)-1-piperidine-carboxylate (interm. 6).

Reference： [1]Patent: US6110939,2000,A

50
(+/-)-ethyl 4-amino-2-(phenylmethyl)-1-piperidinecarboxylate [ No CAS ]
[ 87233-54-3 ]
(+/-)-ethyl cis-4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]amino]-2-(phenylmethyl)-1-piperidinecarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
20 g (77%)	With copper; In dichloromethane;	c) Intermediate (23) (15.1 g), 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazol (13.5 g) and copper (3.84 g) were stirred at 150 C. for 4 hours. The mixture was taken up in CH2 Cl2 and filtered. The filtrate was washed with a NH4 OH solution and with water. The organic layer was dried, filtered and the solvent evaporated. The residue was purified by column chromatography over silica gel (eluent: CH2 Cl2 /CH3 OH 97/3). The pure fractions were collected and the solvent evaporated, yielding 20 g (77%) of (+-)-ethyl cis-4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]amino]-2-(phenylmethyl)-1-piperidinecarboxylate (interm. 24).

Reference： [1]Patent: US6110939,2000,A

51
[ 65214-82-6 ]
[ 87233-54-3 ]
ethyl 4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]oxy]-1-piperidinecarboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50 parts (69.1%)	In N,N-dimethyl-formamide;	Example 13 To a stirred mixture of 34.64 parts of ethyl 4-hydroxy-1-piperidinecarboxylate and 940 parts of N,N-dimethylformamide were added portionwise 10 parts of a sodium hydride dispersion 50% at room temperature under nitrogen atmosphere. Upon complete addition, stirring was continued for 1 hour at room temperature. A solution of 45 parts of <strong>[87233-54-3]2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole</strong> in N,N-dimethylformamide was added dropwise at 50 C. Upon completion, the whole was stirred overnight at 50 C. The reaction mixture was poured into ice water and the product was extracted with trichloromethane. The extract was dried, filtered and evaporated, yielding 50 parts (69.1%) of ethyl 4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]oxy]-1-piperidinecarboxylate as a residue (compound 19).

Reference： [1]Patent: US4943580,1990,A

52
N-ethoxyethyl-N'-tert-butoxycarbonyl o-phenylenediamine [ No CAS ]
[ 87233-54-3 ]

Reference： [1]Patent: CN107043355,2017,A

53
[ 95-54-5 ]
[ 87233-54-3 ]

Reference： [1]Patent: CN107043355,2017,A

54
[ 146651-75-4 ]
[ 87233-54-3 ]

Reference： [1]Patent: CN107043355,2017,A

55
[ 4857-06-1 ]
[ 628-34-2 ]
[ 87233-54-3 ]

Yield	Reaction Conditions	Operation in experiment
	In N-methyl-acetamide; ethyl acetate;	PREPARATION 1.2 Synthesis of 4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane Combine 2-chloro-1H-benzimidazole (21.1.4 g, 138.4 mmol) and dimethylformamide (200 mL). Add portionwise, sodium hydride (24.0 g, 60% in oil, 153.3 mmol). After 15 minutes, add 2-chloroethyl ethyl ether (21.9 g, 201,5 mmol). Heat to 60 C. After 18 hours, cool the reaction mixture and dilute with ethyl acetate. Extract with a saturated aqueous sodium bicarbonate solution, water, and then brine. Dry the organic layer over MgSO4, filter, and evaporate in vacuo to give a residue. Chromatograph the residue on silica gel eluding sequentially with 10% ethyl acetate/hexane and then 30% ethyl acetate hexane to give the 2-chloro-1-(2-ethoxyethyl)-1H-benzimidazole: Rf =0.74 (silica gel, 7/3 ethyl acetate/hexane).

Reference： [1]Patent: US5932571,1999,A

56
[ 87233-54-3 ]
[ 192940-54-8 ]

Reference： [1]Patent: US5932571,1999,A

57
[ 87233-54-3 ]
1-(t-butoxycarbonyl)-4-(1-(2-cyanomethyloxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

58
[ 87233-54-3 ]
1-t-butoxycarbonyl-4-(1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-benzimidazol-2-yl)[1,4]diazepane [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

59
[ 87233-54-3 ]
N-methyl-N-(4-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)-2-(naphth-2-yl)butyl)benzamide [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

60
[ 87233-54-3 ]
N-Methyl-N-(4-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)-2-(thien-2-yl)butyl)-3,4,5-trimethoxybenzamide [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

61
[ 87233-54-3 ]
N-Methyl-N-(4-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)-2-(pyrid-3-yl)butyl)-3,4,5-trimethoxybenzamide [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

62
[ 87233-54-3 ]
N-methyl-N-(4-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)-2-(3,4-dichlorophenyl)butyl)-3,4,5-trimethoxybenzamide [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

63
[ 87233-54-3 ]
N-methyl-N-(4-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)-2-(3-trifluoromethylphenyl)butyl)-3,4,5-trimethoxybenzamide [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

64
[ 87233-54-3 ]
N-Methyl-N-(4-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)-2-(3,4-dichlorophenyl)butyl)-3,5-bis(trifluoromethyl)benzamide [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

65
[ 87233-54-3 ]
[ 122484-87-1 ]

Reference： [1]Patent: US5932571,1999,A

66
[ 87233-54-3 ]
2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-hydroxyethyl)-1H-benzimidazole [ No CAS ]

Reference： [1]Patent: US5932571,1999,A

67
[ 87233-54-3 ]
[ 101954-20-5 ]

Reference： [1]Patent: US5932571,1999,A

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[ 87233-54-3 ]

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[ 87233-54-3 ]

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 87233-54-3 ] {[proInfo.proName]}

Quality Control of [ 87233-54-3 ]

Related Doc. of [ 87233-54-3 ]

Product Details of [ 87233-54-3 ]

Calculated chemistry of [ 87233-54-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 87233-54-3 ]

Application In Synthesis of [ 87233-54-3 ]

[ 87233-54-3 ] Synthesis Path-Downstream 1~67

Related Functional Groups of [ 87233-54-3 ]

Chlorides

Ethers

Related Parent Nucleus of [ 87233-54-3 ]

Benzimidazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 87233-54-3 ]

Related Parent Nucleus of
[ 87233-54-3 ]