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tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate is a complex organic compound with a molecular structure that features a benzimidazole core, a piperidine ring, and a carboxylate group. It is characterized by its potential pharmaceutical applications and is known to be an impurity in the synthesis of certain drugs.

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  • tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate

    Cas No: 1181267-36-6

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  • 1181267-36-6 Structure
  • Basic information

    1. Product Name: tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate
    2. Synonyms: tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate;Bilastine Impurity 2;4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester;N-Boc 1-(2-Ethyoxyethyl)-2-(4-piperidinyl)-1H-benzimidazole;4-[1-(2-Ethoxy-ethyl)-1H-benzoimidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
    3. CAS NO:1181267-36-6
    4. Molecular Formula: C21H31N3O3
    5. Molecular Weight: 373.48914
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1181267-36-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 521.7±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.15±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 5.31±0.10(Predicted)
    10. CAS DataBase Reference: tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate(1181267-36-6)
    12. EPA Substance Registry System: tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate(1181267-36-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1181267-36-6(Hazardous Substances Data)

1181267-36-6 Usage

Uses

Used in Pharmaceutical Industry:
tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate is used as an impurity in the synthesis of Bilastine (B385000), a novel, nonsedating H1-antihistamine. It is utilized for the symptomatic treatment of allergic rhinitis and chronic idiopathic urticaria due to its effectiveness in alleviating allergy symptoms without causing drowsiness.
As an impurity, it is essential to monitor and control the levels of tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]iMidazol-2-yl)piperidine-1-carboxylate in the final drug product to ensure safety, efficacy, and quality. The compound may also be of interest for further research into its potential therapeutic applications or as a starting material for the development of new drugs with similar pharmacological properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1181267-36-6 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,8,1,2,6 and 7 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1181267-36:
(9*1)+(8*1)+(7*8)+(6*1)+(5*2)+(4*6)+(3*7)+(2*3)+(1*6)=146
146 % 10 = 6
So 1181267-36-6 is a valid CAS Registry Number.

1181267-36-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1181267-36-6 SDS

1181267-36-6Relevant articles and documents

Preparation method of bilastine important intermediate

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Paragraph 0012; 0014; 0016, (2020/12/31)

According to the preparation method disclosed by the invention, the formula VI is prepared by reacting the formula V with bromoethyl ethyl ether, and a phase transfer catalyst tetrabutylammonium iodide is added, so that the reaction time is greatly shortened. the product of the formula VI is subjected to acid hydrolysis to obtain a compound II. The method is a good method for synthesizing the compound II, is mild in reaction condition, simple to operate and convenient to industrialize, and conforms to the development direction of green chemistry.

Preparation method of bilastine intermediate

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Paragraph 0058-0073, (2019/06/08)

The invention belongs to the field of medicinal preparations and specifically relates to a preparation method of a bilastine intermediate named as tert-butyl 4-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidine-1-carboxylate. An intermediate compound involved in the invention is generated by protecting 2-(4-piperidinyl)-1H-benzimidazole through di-tert butyl dicarbonate and further enabling the 2-(4-piperidinyl)-1H-benzimidazole and 2-chloroethyl ethyl ether to be subjected to a substitution reaction. A product is subjected to deprotection under an acidic condition and then is subjected tothe substitution reaction to generate 1-(2-ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole. The preparation method, provided by the invention, of the bilastine intermediate provides a new way for synthesis of bilastine; used raw materials are cheap and easy to obtain; the preparation cost is low; a whole technology is simple; and the preparation method has relatively high yield and purity and issuitable for industrial large-scale production.

Bilastine preparation method

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Paragraph 0055; 0056; 0057; 0058; 0059; 0060, (2017/04/14)

The invention discloses a Bilastine preparation method. The Bilastine preparation method includes that 2-nitroaniline which is low in price and easy to obtain is taken as a raw material which is subjected to reduction-n-cyclohexylmaleimide reaction, alkyl

Discovery of Novel 2-(piperidin-4-yl)-1H-benzo[d]imidazole Derivatives as Potential Anti-Inflammatory Agents

Li, Qing,Hu, Qinghua,Wang, Xinning,Zong, Yang,Zhao, Leilei,Xing, Junhao,Zhou, Jinpei,Zhang, Huibin

, p. 509 - 516 (2015/03/30)

A novel 2-(piperidin-4-yl)-1H-benzo[d]imidazole derivative 5 with good anti-inflammatory activity was identified from our in-house library. Based on hit compound 5, two series of 2-(piperidin-4-yl)-1H-benzo[d]imidazole derivative 6a-g and 7a-h were designed and synthesized as novel anti-inflammatory agents. Most of synthesized compounds exhibited good inhibitory activity on NO and TNF-α production in LPS-stimulated RAW 264.7 macrophages, in which the compound 6e showed most potent inhibitory activity on NO (IC50 = 0.86 μm) and TNF-α (IC50 = 1.87 μm) production. Further evaluation revealed that compound 6e displayed more potent in vivo anti-inflammatory activity than ibuprofen did on xylene-induced ear oedema in mice. Additionally, Western blot analysis revealed that compound 6e could restore phosphorylation level of IκBα and protein expression of p65 NF-κB in LPS-stimulated RAW 264.7 macrophages.

NOVEL PROCESS FOR THE PREPARATION OF 2-[4-(2-{4-[1-(2-ETHOXYETHYL)-1H-BENZIMIDAZOL-2-YL]-1-PIPERIDINYL}ETHYL) PHENYL]-2-METHYLPROPANOIC ACID

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, (2014/12/12)

The present invention relates to novel process for the preparation of 2-[4-(2-{4-[l-(2- ethoxyethyl)-lH-benzimidazol-2-yl]-l-piperidinyl}ethyl)phenyl]-2-methylpropanoic acid represented by the following structural formula- 1. Formula- 1 The present invention also provides novel intermediate compounds useful for the preparation of compound of formula- 1.

Alternative synthesis of bilastine

Collier, Steven J.,Wu, Xiang,Poh, Zhiying,Rajkumar, Gurubatham Abraham,Yet, Larry

, p. 1394 - 1402 (2011/05/11)

A new and efficient synthesis of the non-sedating histamine H1 receptor antagonist Bilastine is reported. The new route employs a convergent strategy, with a longest linear sequence of five steps, giving slightly improved yields over the previous routes.

PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS

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Page/Page column 6, (2011/02/15)

The present invention relates to a process for preparing 2-methyl-2′-phenylpropionic acid derivatives showing antihistamine activity in more simplified way, intermediate compounds and their preparation processes used therefor. According to the present inv

PROCESS FOR PREPARATION OF 2-METHYL-2′-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS

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Page/Page column 18, (2009/10/09)

The present invention relates to a process for preparing 2-methyl-2'-phenylpropionic acid derivatives showing antihistamine activity in more simplified way, intermediate compounds and their preparation processes used therefor. According to the present inv

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