2-Bromo-3-fluoropropionic acid methyl ester

Base Information

• Chemical Name: 2-Bromo-3-fluoropropionic acid methyl ester
• CAS No.: 1537-52-6
• Molecular Formula: C4H6BrFO2
• Molecular Weight: 184.99200
• Hs Code.: 2915900090
• European Community (EC) Number: 807-503-1
• ChEMBL ID: CHEMBL3244470
• Mol file: 1537-52-6.mol

Synonyms:2-BROMO-3-FLUOROPROPIONIC ACID METHYL ESTER;1537-52-6;methyl 2-bromo-3-fluoropropanoate;MFCD09800641;CHEMBL3244470;SCHEMBL10679117;methyl 2-bromo-3-fluoropropionate;BAA53752;methyl 2-bromo-3-fluoro-propanoate;AKOS005254750;AT23055;MS-20035;METHYL 2-BROMO-3-FLUOROPROPRIONATE;CS-0312102;Propanoic acid, 2-bromo-3-fluoro-, methyl ester

Chemical Property of 2-Bromo-3-fluoropropionic acid methyl ester

Chemical Property:

• Boiling Point: 51-53°C/8mm
• PSA: 26.30000
• Density: 1.580±0.06 g/cm3(Predicted)
• LogP: 0.89240
• Water Solubility.: Insoluble in water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 183.95352
• Heavy Atom Count: 8
• Complexity: 86.1

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-3-fluoropropionicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CF)Br
• Uses: In organic synthesis. Employed as important intermediates in various areas such as peptide synthesis, asymmetric synthesis.

Technology Process of 2-Bromo-3-fluoropropionic acid methyl ester

There total 8 articles about 2-Bromo-3-fluoropropionic acid methyl ester 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: 70.0%

Methyl 2,3-dibromopropionate (1729-67-5) → 2-Brom-3-fluor-propionsaeure-methylester (1537-52-6)

Guidance literature:

With bromine trifluoride; tin(IV) chloride; In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 20 ℃; for 1h;

Reference yield: 50.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-bromo-2-fluoropropionate (399-86-0) + 2-Brom-3-fluor-propionsaeure-methylester (1537-52-6)

Guidance literature:

With bromine trifluoride; bromine; In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 10 - 20 ℃;

Reference yield: 48.0%

Methyl 2,3-dibromopropionate (1729-67-5) → methyl 3-bromo-2-fluoropropionate (399-86-0) + 2-Brom-3-fluor-propionsaeure-methylester (1537-52-6)

Guidance literature:

With hydrogen fluoride; hexachloromelamine; at 0 - 15 ℃;

upstream raw materials:

acrylic acid methyl ester

Methyl 2,3-dibromopropionate

methyl hypobromite

Refernces

• 1、 Dean,F.H.,Pattison,F.L.M.. "-". . p. 2415 - 2418. Retrieved 1965.
• 2、 Kartashov, A. V.,Chuvatkin, N. N.,Boguslavskaya, L. S.. "REACTIONS OF HALOGEN FLUORIDES XII. REACTION OF BROMINE TRIFLUORIDE WITH BROMINE-CONTAINING ESTERS. A NEW METHOD FOR THE SYNTHESIS OF FLUOROALKYL 2-FLUOROACRYLATES". . p. 2243 - 2248. Retrieved 2007/10/02.