Methyl bromoacetate

Base Information

• Chemical Name: Methyl bromoacetate
• CAS No.: 96-32-2
• Molecular Formula: C3H5BrO2
• Molecular Weight: 152.975
• Hs Code.: 29159080
• European Community (EC) Number: 202-499-2
• NSC Number: 2642
• UN Number: 2643
• UNII: LI6481MCM6
• DSSTox Substance ID: DTXSID7052737
• Nikkaji Number: J2.844D
• Wikipedia: Methyl_2-bromoacetate
• Wikidata: Q27894374
• Mol file: 96-32-2.mol

Synonyms:Methyl bromoacetate;96-32-2;methyl 2-bromoacetate;Bromoacetic acid methyl ester;ACETIC ACID, BROMO-, METHYL ESTER;Methyl monobromoacetate;Methyl alpha-bromoacetate;NSC 2642;Acetic acid, 2-bromo-, methyl ester;Methylester kyseliny bromoctove;2-bromoacetic acid methyl ester;Methyl-2-bromoacetate;EINECS 202-499-2;UN2643;Methyl .alpha.-bromoacetate;Methylester kyseliny bromoctove [Czech];bromo-acetic acid methyl ester;LI6481MCM6;EC 202-499-2;methylbromacetate;methylbromoacetat;methylbromacetat-;methyl bromacetate;methvl bromoacetate;methyl-bromoacetate;methylbromo-acetate;methyl brornoacetate;methyl -bromoacetate;methyl bromo-acetate;BrCH2COOMe;1-Methyl bromoacetate;BrCH2COOCH3;Bromoacetic acid methyl;methyl 2-bromo-acetate;methyl 2-bromoethanoate;bromoacetic methyl ester;carbomethoxymethyl bromide;methyl 2-bromanylethanoate;Methyl bromoacetate, 97%;bromoacetic acid methylester;bromoaceticacid methyl ester;UNII-LI6481MCM6;WLN: E1VO1;SCHEMBL26568;bromo acetic acid methyl ester;Bromo acetic acid, methyl ester;DTXSID7052737;HSDB 8463;2-bromo-acetic acid methyl ester;METHYL.ALPHA.-BROMOACETATE;NSC2642;monobromo acetic acid methyl ester;BCP06456;MFCD00000189;NA2643;AKOS009158462;UN 2643;AS-18626;Methyl bromoacetate [UN2643] [Poison];Methyl bromoacetate [UN2643] [Poison];B0533;FT-0628707;EN300-59820;A845577;Q-100976;Q27894374;F2190-0277

Chemical Property of Methyl bromoacetate

Chemical Property:

• Appearance/Colour: clear to slightly yellow liquid
• Vapor Pressure: 3.25mmHg at 25°C
• Melting Point: -50°C
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 154 °C at 760 mmHg
• Flash Point: 62.8 °C
• PSA: 26.30000
• Density: 1.615 g/cm³
• LogP: 0.55430
• Storage Temp.: Store at R.T.
• Water Solubility.: Miscible with methanol, ether and acetone. Slightly miscible with water
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.94729
• Heavy Atom Count: 6
• Complexity: 52.8
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

BAM ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi,F
• Hazard Codes: T,Xi,F
• Statements: 25-34-37-23/24/25-40-36/37/38-38
• Safety Statements: 26-36/37/39-45-28A-36-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Esters
• Canonical SMILES: COC(=O)CBr
• Uses: Methyl bromoacetate was used in the synthesis of novel coumarins. It was also employed in the synthesis of cis-cyclopropanes Methyl bromoacetate is used in the synthesis of coumarins and cis-cyclopropanes. It reacts with the conjugate base of (methylmethoxycarbene)pentacarbonylchromium(0) to prepare alkylated carbene complexes. Further, it is used to make vitamins and pharmaceuticals.

Technology Process of Methyl bromoacetate

There total 19 articles about Methyl bromoacetate 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: 84.0%

Dimethoxymethane (109-87-5) + 2-Bromoacetyl bromide (598-21-0) → bromoacetic acid methyl ester (96-32-2)

Guidance literature:

at 0 ℃; for 11h;

DOI:10.1081/SCC-120002510

Reference yield: 81.0%

methanol (67-56-1) + bromoacetic acid (79-08-3) → bromoacetic acid methyl ester (96-32-2)

Guidance literature:

bromoacetic acid; With oxalyl dichloride; at 60 ℃; for 3h;

methanol; at 20 ℃; for 0.5h;

DOI:10.1002/(sici)1099-0690(199911)1999:11<2909::aid-ejoc2909>3.0.co;2-5

Reference yield: 80.0%

→ bromoacetic acid methyl ester (96-32-2)

Guidance literature:

upstream raw materials:

dimethyl 2-bromofumarate

methyl diazoacetate

methanol

bromoacetic acid

Downstream raw materials:

(7(9)H-purin-6-ylmercapto)-acetic acid methyl ester

(2-[2]pyridyl-benzimidazol-1-yl)-acetic acid methyl ester

methoxycarbonylmethyl-hexamethylenetetraminium; bromide

N-benzenesulfonyl-N-(2,4,6-trimethyl-[3]pyridyl)-glycine-methyl ester

Refernces

Novel synthesis of the pyrrolo[2,1-c][1,4]benzodiazocine ring system via a Dieckmann condensation

10.1016/j.tet.2008.07.029

This research presents a novel four-step synthesis of the pyrrolo[2,1-c][1,4]benzodiazocine ring system. The purpose of this study is to develop an efficient and straightforward route to synthesize this ring system, which is structurally related to the pharmacologically important 1,4-benzodiazepine central nervous system agents. The synthesis involves alkylation of 1H-pyrrole-2-carbaldehyde with ethyl or methyl bromoacetate, oxidation of the resulting esters with potassium permanganate, conversion of the acids to acid chlorides using thionyl chloride, and finally a Dieckmann condensation to form the pyrrolo[2,1-c][1,4]benzodiazocine ring. The study concludes that this new synthetic route is efficient and provides a practical method for the synthesis of the pyrrolo[2,1-c][1,4]benzodiazocine ring system, potentially facilitating further research and development of related pharmaceutical compounds.

Synthesis of original trifluoromethylated 6-aryl-pyridazines fused with thiazolidine or 1,2,4-triazole

10.1055/s-2005-918433

The research aims to develop an efficient synthesis of novel 8-trifluoromethyl-7H-thiazolo[3,2-b]- and 1,2,4-triazolo[4,3-b]pyridazines, which are potentially biologically active compounds. The study builds on the known pharmacological properties of 6-aryl-1,2,4-triazolo[4,3-b]pyridazine derivatives, such as their anxiolytic and antihypertensive effects, and explores the impact of incorporating a trifluoromethyl group at a unique position on these molecules. The synthesis starts from 4-trifluoromethyl-4,5-dihydropyridazin-3-one, using a five-membered ring closure strategy involving bis(electrophilic) reagents reacting with exocyclic and endocyclic nucleophilic centers on the pyridazine nucleus. Key chemicals include Lawesson’s reagent for thionation, methyl α-bromoacetate for ring closure, and various reagents like phosphorous oxy chloride and hydrazine for further functional group transformations. The study concludes that the synthesized compounds, such as 4, 8, 9, and 10a/b, can be efficiently accessed under mild conditions and are promising candidates for further biological evaluation due to their unique structure and potential for chemical transformations.

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