Calcium 2,3-dihydroxypropionate

Base Information

• Chemical Name: Calcium 2,3-dihydroxypropionate
• CAS No.: 84145-22-2
• Molecular Formula: 2C₃H₅O₄*Ca
• Molecular Weight: 250.219
• European Community (EC) Number: 282-247-6,265-849-3,678-151-2
• DSSTox Substance ID: DTXSID301004408
• Nikkaji Number: J307.447A
• Mol file: 84145-22-2.mol

Synonyms:Calcium 2,3-dihydroxypropionate;84145-22-2;calcium;2,3-dihydroxypropanoate;EINECS 282-247-6;Calcium (1)-2,3-dihydroxypropionate;DL-GLYCERIC ACID HEMICALCIUM SALT;Calciumglycerate;Calcium DL-Glycerate Hydrate;207300-72-9;67525-74-0;C3H6O4.1/2Ca;C3-H6-O4.1/2Ca;Calcium DL-Glycerate;Propanoic acid, 2,3-dihydroxy-, calcium salt (2:1), dihydrate;Propanoic acid, 2,3-dihydroxy-, calcium salt (2:1), dihydrate, (.+.)-;SCHEMBL291843;DL-Glyceric Acid Calcium Salt;DTXSID301004408;Calcium (+-)-2,3-dihydroxypropionate;2,3-Dihydroxypropionic Acid Calcium Salt;CALCIUM BIS(2,3-DIHYDROXYPROPANOATE);G0232

Chemical Property of Calcium 2,3-dihydroxypropionate

Chemical Property:

• Melting Point: 134 °C (dec.)(lit.)
• PSA: 77.76000
• LogP: -1.35080
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 250.0001581
• Heavy Atom Count: 15
• Complexity: 63.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(=O)[O-])O)O.C(C(C(=O)[O-])O)O.[Ca+2]

Technology Process of Calcium 2,3-dihydroxypropionate

There total 1 articles about Calcium 2,3-dihydroxypropionate 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: 63.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → calcium DL-2,3-dihydroxypropanoate (14028-62-7,14028-63-8,65644-56-6,84145-22-2,98870-54-3)

Guidance literature:

glycerol; With sodium hydroxide; Rh(trop2NH)(PPh₃)(OTf); water; cyclohexanone; at 25 ℃; for 16h; Inert atmosphere;

With calcium chloride; In water; chemoselective reaction;

DOI:10.1002/anie.200804757

Reference yield:

triethylammonium dihydrogen phosphate + 4,4'-dimethoxytrityl chloride (40615-36-9) + calcium DL-2,3-dihydroxypropanoate (14028-62-7,14028-63-8,65644-56-6,84145-22-2,98870-54-3) → C24H24O6*C6H15N

Guidance literature:

4,4'-dimethoxytrityl chloride; calcium DL-2,3-dihydroxypropanoate; With pyridine; at 45 ℃; for 22h;

triethylammonium dihydrogen phosphate; In dichloromethane; pH=7 - 8;

Reference yield:

4,4'-dimethoxytrityl chloride (40615-36-9) + calcium DL-2,3-dihydroxypropanoate (14028-62-7,14028-63-8,65644-56-6,84145-22-2,98870-54-3) → C24H24O6*C6H15N

Guidance literature:

4,4'-dimethoxytrityl chloride; calcium DL-2,3-dihydroxypropanoate; With pyridine; at 45 ℃; for 22h;

triethylamine phosphate; In dichloromethane; water;

upstream raw materials:

glycerol

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