Bromoacetic acid-d3

Base Information

• Chemical Name: Bromoacetic acid-d3
• CAS No.: 14341-48-1
• Molecular Formula: C2Br D3 O2
• Molecular Weight: 141.925
• European Community (EC) Number: 685-247-8
• DSSTox Substance ID: DTXSID40481470
• Wikidata: Q82316898
• Mol file: 14341-48-1.mol

Synonyms:Bromoacetic acid-d3;14341-48-1;deuterio 2-bromo-2,2-dideuterioacetate;SCHEMBL1331191;DTXSID40481470;Bromoacetic acid-d3, 98 atom % D;AKOS015894229;D98850;J-007810

Chemical Property of Bromoacetic acid-d3

Chemical Property:

• Vapor Pressure: 0.0929mmHg at 25°C
• Melting Point: 47-49 °C(lit.)
• Refractive Index: 1.506
• Boiling Point: 208 °C(lit.)
• Flash Point: >230 °F
• PSA: 37.30000
• Density: 2.046g/cm³
• LogP: 0.46590
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.95047
• Heavy Atom Count: 5
• Complexity: 42.9

Purity/Quality:

NLT 98% ^*data from raw suppliers

Bromoacetic acid-d3 98 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,C,N
• Statements: 23/24/25-35-50-43
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)Br
• Isomeric SMILES: [2H]C([2H])(C(=O)O[2H])Br
• Uses: Bromoacetic Acid-d3 can be used as crth2 antagonists to treat allergic diseases, eosinophil-?related diseases and basophil-?related diseases

Technology Process of Bromoacetic acid-d3

There total 4 articles about Bromoacetic acid-d3 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: 91.0%

tetradeuterioacetic acid (1186-52-3) → 2-bromoacetic-d2 acid-d (14341-48-1)

Guidance literature:

With phosphorus; bromine;

Reference yield:

C3(2)H3BrO4 (343929-83-9) → 2-bromoacetic-d2 acid-d (14341-48-1)

Guidance literature:

at 150 ℃; for 1h;

DOI:10.1021/ja102670n

Reference yield:

tetradeuterio-malonic acid (813-56-9) → 2-bromoacetic-d2 acid-d (14341-48-1)

Guidance literature:

With bromine; Yield given. Multistep reaction; 1) ether, 2) 130 deg C, 40 min;

upstream raw materials:

tetradeuterioacetic acid

tetradeuterio-malonic acid

C₃⁽²⁾H₃BrO₄

Downstream raw materials:

ethyl bromo-<2,2-²H2>acetate

phenoxyacetic-d2 acid

C₁₂H₁₁⁽²⁾H₂BrO₄