Ethyl 1-bromocyclopentanecarboxylate

Base Information

• Chemical Name: Ethyl 1-bromocyclopentanecarboxylate
• CAS No.: 30038-94-9
• Molecular Formula: C8H13BrO2
• Molecular Weight: 221.094
• Hs Code.: 2916209090
• European Community (EC) Number: 838-456-5
• DSSTox Substance ID: DTXSID50571139
• Wikidata: Q82458763
• Mol file: 30038-94-9.mol

Synonyms:Ethyl 1-bromocyclopentanecarboxylate;30038-94-9;ethyl 1-bromocyclopentane-1-carboxylate;1-BROMO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER;SCHEMBL1604412;DTXSID50571139;Ethyl1-bromocyclopentanecarboxylate;HKNNXQUAMZHIER-UHFFFAOYSA-N;1-Bromo-1-ethoxycarbonylcyclopentane;MFCD06656664;CS-0450696;P16851;EN300-6851234;1-bromo-1-cyclopentanecarboxylic acid ethyl ester

Chemical Property of Ethyl 1-bromocyclopentanecarboxylate

Chemical Property:

• Boiling Point: 219.7±23.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.420±0.06 g/cm3(Predicted)
• LogP: 2.25720
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 220.00989
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

1-bromo-cyclopentanecarboxylicacidethylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCC1)Br

Technology Process of Ethyl 1-bromocyclopentanecarboxylate

There total 6 articles about Ethyl 1-bromocyclopentanecarboxylate 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: 91.4%

ethyl cyclopentanecarboxylate (5453-85-0) → 1-bromocyclopentane-carboxylic acid ethyl ester (30038-94-9)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 6h; Heating;

DOI:10.1021/jm010358l

Reference yield: 68.0%

1-bromo-1-cyclopentanecarboxylic acid (56447-24-6) → 1-bromocyclopentane-carboxylic acid ethyl ester (30038-94-9)

Guidance literature:

In ethanol; sulfuric acid;

Reference yield:

ethanol (64-17-5) + 1-bromo-1-cyclopentanecarboxylic acid (56447-24-6) → 1-bromocyclopentane-carboxylic acid ethyl ester (30038-94-9)

Guidance literature:

1-bromo-1-cyclopentanecarboxylic acid; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 2h;

ethanol; With N-ethyl-N,N-diisopropylamine; at 20 ℃; for 20h;

DOI:10.1021/jm701551j

upstream raw materials:

2-cyclopentylidene-[1,3]dithiane

ethanol

ethyl cyclopentanecarboxylate

cyclopentanecarboxylic acid

Downstream raw materials:

1-(5-benzyl-2-tetrazolyl)-1-cyclopentanecarboxylic acid

(S)-2-[(1-{4-[(3,5-Dimethyl-phenylcarbamoyl)-methyl]-phenoxy}-cyclopentanecarbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid methyl ester

(R)-3-Benzylsulfanyl-2-[(1-{4-[(3,5-dimethyl-phenylcarbamoyl)-methyl]-phenoxy}-cyclopentanecarbonyl)-amino]-propionic acid methyl ester

2-[(1-{4-[(3,5-dimethyl-phenylcarbamoyl)-methyl]-phenoxy}-cyclopentanecarbonyl)-amino]-succinic acid 4-tert-butyl ester 1-methyl ester

Refernces

• 1、 Youssef, Amal Mamdouh,Safo, Martin K.,Danso-Danquah, Richmond,Joshi, Gajanan S.,Kister, Jean,Marden, Michael C.,Abraham, Donald J.. "Synthesis and X-ray studies of chiral allosteric modifiers of hemoglobin". . p. 1184 - 1195. Retrieved 2007/10/03.