Methyl 2,5-Dibromopentanoate

Base Information

• Chemical Name: Methyl 2,5-Dibromopentanoate
• CAS No.: 50995-48-7
• Molecular Formula: C6H10Br2O2
• Molecular Weight: 273.952
• Hs Code.: 2915900090
• European Community (EC) Number: 859-139-8
• DSSTox Substance ID: DTXSID60448166
• Nikkaji Number: J3.462.279E
• Mol file: 50995-48-7.mol

Synonyms:Valericacid, 2,5-dibromo-, methyl ester (7CI);2,5-Dibromopentanoic acid methyl ester;2,5-Dibromovaleric acid methyl ester;Methyl 2,5-dibromopentanoate;Methyl2,5-dibromovalerate;Methyl a,d-dibromovalerate;

Chemical Property of Methyl 2,5-Dibromopentanoate

Chemical Property:

• Appearance/Colour: Pale yellow solid
• Vapor Pressure: 0.023mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 249.016 °C at 760 mmHg
• Flash Point: 104.401 °C
• PSA: 26.30000
• Density: 1.736 g/cm³
• LogP: 2.09800
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly, Sonicated), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 273.90271
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2,5-Dibromopentanoate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CCCBr)Br
• Uses: Methyl 2,5-Dibromopentanoate can be used for liquid crystal compounds for display devices.

Technology Process of Methyl 2,5-Dibromopentanoate

There total 3 articles about Methyl 2,5-Dibromopentanoate 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: 88.0%

3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) + methanol (67-56-1) → methyl 2,5-dibromovalerate (50995-48-7)

Guidance literature:

3,4,5,6-tetrahydro-2H-pyran-2-one; With phosphorus; bromine; at -30 - 80 ℃; for 3h;

methanol; at 0 - 20 ℃; for 1h;

Reference yield:

methanol (67-56-1) + 5-bromopentanoic acid (2067-33-6) → methyl 2,5-dibromovalerate (50995-48-7)

Guidance literature:

5-bromopentanoic acid; With thionyl chloride; at 80 ℃; for 1h;

With bromine; at 50 ℃; for 40h;

methanol; at 30 - 50 ℃; for 1h;

Reference yield:

→ methyl 2,5-dibromovalerate (50995-48-7)

Guidance literature:

DOI:10.1139/v73-500

upstream raw materials:

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

methanol

5-bromopentanoic acid

Downstream raw materials:

6,7-cyclopenteno-2-<3-<4-(4-fluorophenyl)-1-piperazinyl>propyl>-2H-1,4-benzoxazin-3(4H)-one

methyl valerate

5-bromovaleric acid methyl ester

methyl cyclobutanecarboxylate

Refernces

• 1、 -. "2-(1-bromocyclobutyl) pyridine and synthesis method thereof". Paragraph 0008; 0029-0031; 0048-0050; 0067-0069. . Retrieved 2020/11/23.
• 2、 Morrison, Philip M.,Foley, Patrick J.,Warriner, Stuart L.,Webb, Michael E.. "Chemical generation and modification of peptides containing multiple dehydroalanines". supporting information. p. 13470 - 13473. Retrieved 2015/09/01.