Dimethyl dibromomalonate

Base Information

• Chemical Name: Dimethyl dibromomalonate
• CAS No.: 37167-59-2
• Molecular Formula: C5H6 Br2 O4
• Molecular Weight: 289.908
• European Community (EC) Number: 253-371-8
• NSC Number: 175887
• UNII: 6PY6G3UXV4
• DSSTox Substance ID: DTXSID5068023
• Nikkaji Number: J89.156H
• Wikidata: Q81994719
• Mol file: 37167-59-2.mol

Synonyms:Dimethyl dibromomalonate;37167-59-2;dimethyl 2,2-dibromopropanedioate;Dimethyl 2,2-dibromomalonate;Propanedioic acid, dibromo-, dimethyl ester;6PY6G3UXV4;Propandioic acid, dibromo-, dimethyl ester;EINECS 253-371-8;Propanedioic acid, 2,2-dibromo-, 1,3-dimethyl ester;NSC 175887;NSC-175887;UNII-6PY6G3UXV4;C5H6Br2O4;DIMETHYLDIBROMOMALONATE;C5-H6-Br2-O4;DTXSID5068023;SCHEMBL10954143;Dibromomalonic acid dimethyl ester;NSC175887;AKOS024319327;FT-0768659;J-802195

Chemical Property of Dimethyl dibromomalonate

Chemical Property:

• Vapor Pressure: 0.103mmHg at 25°C
• Melting Point: 58-61 °C(lit.)
• Boiling Point: 222.2°Cat760mmHg
• Flash Point: 88.2°C
• PSA: 52.60000
• Density: 2.007g/cm³
• LogP: 0.81850
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 289.86123
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

DIMETHYL 2,2-DIBROMOMALONATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C(C(=O)OC)(Br)Br

Technology Process of Dimethyl dibromomalonate

There total 4 articles about Dimethyl dibromomalonate 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:

malonic acid dimethyl ester (108-59-8) → dimethyl dibromomalonate (37167-59-2) + dimethyl 2-bromomalonate (868-26-8)

Guidance literature:

With N-Bromosuccinimide; ethyl 2-methyl-1H-indole-3-carboxylate; In n-heptane; at 25 ℃; for 18h; Overall yield = 90 percentSpectr.; Darkness;

DOI:10.1016/j.tetlet.2020.151772

Reference yield:

malonic acid dimethyl ester (108-59-8) → dimethyl dibromomalonate (37167-59-2)

Guidance literature:

With bromine; im diffusen Licht unter Kuehlung;

Reference yield:

methanol (67-56-1) + dibromomalonic acid (595-45-9) → dimethyl dibromomalonate (37167-59-2)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methanol

dibromomalonic acid

malonic acid dimethyl ester

Downstream raw materials:

dimethyl di(p-nitrophenylamino)malonate

2-(1-Phenyl-ethylimino)-malonic acid dimethyl ester

dimethyl 2-(3-methylbutylidene)malonate

dimethyl 2-benzylidenepropanedioate

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