2,5-Dibromopentanoic acid

Base Information

• Chemical Name: 2,5-Dibromopentanoic acid
• CAS No.: 1450-81-3
• Molecular Formula: C5H8Br2O2
• Molecular Weight: 259.925
• Hs Code.: 2915900090
• European Community (EC) Number: 604-458-8
• DSSTox Substance ID: DTXSID30513835
• Nikkaji Number: J80.116J
• Mol file: 1450-81-3.mol

Synonyms:2,5-DIBROMOPENTANOIC ACID;1450-81-3;Pentanoic acid, 2,5-dibromo-;2,5-dibromovaleric acid;alpha,delta-Dibromvaleriansaure;SCHEMBL3875750;2,5-DIBROMOPENTANOICACID;DTXSID30513835;JDAVNLLRFXIKKD-UHFFFAOYSA-N;BCP25366;AKOS016008849;FT-0610281;A808314;J-507300

Chemical Property of 2,5-Dibromopentanoic acid

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 308 °C at 760 mmHg
• Flash Point: 140.1 °C
• PSA: 37.30000
• Density: 1.962 g/cm³
• LogP: 2.00960
• Solubility.: DCM, DMSO, Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 259.88706
• Heavy Atom Count: 9
• Complexity: 95

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,5-DibromopentanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(C(=O)O)Br)CBr
• Uses: 2,5-Dibromopentanoic Acid is used in the synthesis of inhibitors for aminoglycoside resistant bacteria. Also used in the preparation of sequence specific base pair mimics as topoisomerase IB inhibitors.

Technology Process of 2,5-Dibromopentanoic acid

There total 14 articles about 2,5-Dibromopentanoic acid 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:

5-bromopentanoic acid (2067-33-6) → 2,5-dibromopentanoic acid (1450-81-3)

Guidance literature:

With phosphorus; bromine; at 120 ℃;

Reference yield:

3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) → 2,5-dibromopentanoic acid (1450-81-3)

Guidance literature:

With bromine; Phillips' method;

Reference yield:

→ 2,5-dibromopentanoic acid (1450-81-3)

Guidance literature:

With bromine; phosphorus tribromide;

upstream raw materials:

5-bromopentanoic acid

diethyl 2-bromo-2-(3-bromopropyl)malonate

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

hydrogen bromide

Downstream raw materials:

rac-Pro-OH

C₉H₁₆Br₂O₂

N-benzyl-2,5-dibromopentanamide

3-bromo-1-phenylpiperidin-2-one

Refernces

• 1、 Hosono, Kazumi,Kodama, Shintaro,Nomoto, Akihiro,Ochi, Takanori,Ogawa, Akiya,Tabuchi, Akihiro,Yamamoto, Yuki,Yamazaki, Kento. "A two-phase bromination process using tetraalkylammonium hydroxide for the practical synthesis of α-bromolactones from lactones". supporting information. p. 2906 - 2914. Retrieved 2022/01/12.
• 2、 -. "Derivatives of octahydro-6,10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds". . . Retrieved 2008/06/13.