Dibromomalonic acid

Base Information

• Chemical Name: Dibromomalonic acid
• CAS No.: 595-45-9
• Molecular Formula: C3H2Br2O4
• Molecular Weight: 261.854
• DSSTox Substance ID: DTXSID60504650
• Nikkaji Number: J2.710C
• Wikidata: Q82359295
• Mol file: 595-45-9.mol

Synonyms:DIBROMOMALONIC ACID;595-45-9;2,2-dibromopropanedioic acid;Dibromopropanedioic acid;SCHEMBL4532720;DTXSID60504650

Chemical Property of Dibromomalonic acid

Chemical Property:

• PSA: 74.60000
• LogP: 0.64170
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 261.82993
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dibromomalonic acid

There total 5 articles about Dibromomalonic 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: 88.0%

malonic acid (141-82-2) → dibromomalonic acid (595-45-9)

Guidance literature:

With hydrogen bromide; bromine; for 12h; Ambient temperature;

DOI:10.3987/COM-93-S(B)16

Reference yield: 62.0%

→ dibromomalonic acid (595-45-9)

Guidance literature:

Reference yield:

tris(1,10-phenanthroline)iron(III) (13479-49-7) + 2-bromomalonic acid (600-31-7) + bromate (15541-45-4) → ferroin (47836-89-5,14708-99-7,24324-38-7) + dibromomalonic acid (595-45-9) + bromide (10097-32-2,16759-25-4,24959-67-9)

Guidance literature:

In water; study of the oscillatory reaction at 40°C with stirring; concentration of Fe(phen)3(3+) is monitored spectrophotometrically; Kinetics;

DOI:10.1021/j150669a001

upstream raw materials:

malonic acid

2-bromomalonic acid

chloroform

bromine

Downstream raw materials:

3,8-di-p-tolyl-2,7-bis-p-tolylimino-1,6-dithia-3,8-diaza-spiro[4.4]nonane-4,9-dione

acetonedicarboxylic acid

Betainhydrobromid

dibromoacetic acid

Refernces

• 1、 -. "Cyclic amic acid derivatives". . . Retrieved 2008/06/13.
• 2、 Padwa, Albert,Coats, Steven J.,Hadjiarapoglou, Lazaros. "8H-Anhydro-4-hydroxy-2-oxo-1,3-thiazinium Hydroxides as mesoionic 1,4-Dipoles". . p. 219 - 242. Retrieved 2007/10/02.