5-Bromovaleryl chloride

Base Information

• Chemical Name: 5-Bromovaleryl chloride
• CAS No.: 4509-90-4
• Molecular Formula: C5H8BrClO
• Molecular Weight: 199.475
• Hs Code.: 29159000
• European Community (EC) Number: 629-364-4
• DSSTox Substance ID: DTXSID40334573
• Nikkaji Number: J1.228.757G
• Wikidata: Q72513685
• Mol file: 4509-90-4.mol

Synonyms:5-Bromovaleryl chloride;4509-90-4;5-Bromopentanoyl chloride;5-Bromovaleroyl Chloride;5-Bromovalerylchloride;5-bromovaleric acid chloride;5-bromo-pentanoyl chloride;bromovalerylchloride;bromovaleryl chloride;5-bromovaleric chloride;5-bromopentanoylchloride;5-bromo pentanoyl chloride;SCHEMBL50102;5-Bromovaleryl chloride, 97%;DTXSID40334573;MFCD00013660;AKOS006222732;AM85775;FS-4820;B2059;FT-0635334;EN300-65862;A22094;H11319;(2-TRIFLUOROMETHYLBIPHENYL-4-YL)-METHANOL;J-517221

Chemical Property of 5-Bromovaleryl chloride

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 214.1 °C at 760 mmHg
• Flash Point: 107.2 °C
• PSA: 17.07000
• Density: 1.502 g/cm³
• LogP: 2.31700
• Sensitive.: Moisture Sensitive/Lachrymatory
• Water Solubility.: Reacts with water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 197.94471
• Heavy Atom Count: 8
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

5-Bromovaleryl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCBr)CC(=O)Cl
• Uses: 5-Bromovaleryl chloride was used in the preparation of aromatic azides and organic gelators.

Technology Process of 5-Bromovaleryl chloride

There total 7 articles about 5-Bromovaleryl chloride 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: 100.0%

5-bromopentanoic acid (2067-33-6) → 5-bromovaleroyl chloride (4509-90-4)

Guidance literature:

With thionyl chloride;

Reference yield:

5-bromopentanoic acid (2067-33-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-bromovaleroyl chloride (4509-90-4)

Guidance literature:

With oxalyl dichloride; In dichloromethane; at 20 ℃;

DOI:10.3390/molecules23040821

Reference yield:

oxalyl dichloride (79-37-8) + 5-bromopentanoic acid (2067-33-6) → 5-bromovaleroyl chloride (4509-90-4)

Guidance literature:

In N-methyl-acetamide; dichloromethane;

upstream raw materials:

5-Bromvaleriansaeuretrimethylsilylester

5-bromopentanoic acid

3,4,5,6-tetrahydro-2H-pyran-2-one

oxalyl dichloride

Downstream raw materials:

5-bromo-valeric acid-(3,4-dimethoxy-phenethylamide)

N-Phenylsulfonyl-5-brom-valeramid

N-Methansulfonyl-5-brom-valeramid

5-Bromo-pentanoic acid 2,3,4,5,6-pentakis-(5-bromo-pentanoyloxy)-cyclohexyl ester

Refernces

• 1、 Komatsu,Hayakawa,Yanagimoto,Kobayakawa,Nakagawa,Tsuchida. "Iron(II) complex of octopus-porphyrin with a covalently linked proximal imidazole; self-assembly and O2-coordination in aqueous media". . p. 1703 - 1707. Retrieved 2001.
• 2、 Auletta, Tommaso,De Jong, Menno R.,Mulder, Alart,Van Veggel, Frank C. J. M.,Huskens, Jurriaan,Reinhoudt, David N.,Zou, Shan,Zapotoczny, Szczepan,Schoenherr, Holger,Vancso, G. Julius,Kuipers, Laurens. "β-Cyclodextrin Host-Guest Complexes Probed under Thermodynamic Equilibrium: Thermodynamics and AFM Force Spectroscopy". . p. 1577 - 1584. Retrieved 2004.
• 3、 Zhang, Ruixing,Tang, Dan,Lu, Ping,Yang, Xiangyu,Liao, Dongli,Zhang, Yujing,Zhang, Mingjun,Yu, Cong,Yam, Vivian W. W.. "Nucleic acid-induced aggregation and pyrene excimer formation". . p. 4302 - 4305. Retrieved 2009.
• 4、 -. "Oseltamivir PROTAC compound as well as preparation method and application thereof in anti-influenza virus medicines". Paragraph 0048-0051. . Retrieved 2021/04/03.
• 5、 Baker, Hannah,Ferreira, Liam D.,Gayler, Kevin M.,Kane, Robert R.,Karunananthan, Johann W.,Kostyo, Jessica H.,Martin, Emil,Mattke, Jordan,Nguyen, Harold,Plunk, Michael A.,Quintana, Jeremy M.,Sharina, Iraida,Shuda, Mina,Stinchcomb, Alexandra L.. "Gemfibrozil derivatives as activators of soluble guanylyl cyclase – A structure-activity study". . . Retrieved 2021/08/09.