Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1)

Base Information

• Chemical Name: Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1)
• CAS No.: 110720-66-6
• Deprecated CAS: 10471-49-5
• Molecular Formula: C₄H₄O₆*Ca
• Molecular Weight: 188.15
• UNII: O6I5B26XA7
• DSSTox Substance ID: DTXSID50883961
• Nikkaji Number: J217.320D
• Wikidata: Q416767
• Mol file: 110720-66-6.mol

Synonyms:O6I5B26XA7;Calcium tartarate;calcium;(2R,3R)-2,3-dihydroxybutanedioate;UNII-O6I5B26XA7;calcium d-tartrate;Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1);EINECS 221-621-5;Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, calcium salt (1:1);Tartaric acid, calcium salt (1:1);EC 221-621-5;Butanedioic acid, 2,3-dihydroxy-, calcium salt;calcium l-(+)-tartrate;BUTANEDIOIC ACID, 2,3-DIHYDROXY- (R-(R*,R*))-, CALCIUM SALT (1:1);calcium l-tartrate;calcium L(+)-tartrate;calcium L(+ )-tartrate;Tartaric acid, calcium salt;L-Tartaric acid calcium salt;CALCIUM TARTRATE [MI];INS NO.354;SCHEMBL3842912;CALCIUM TARTRATE [INCI];(R)-(+)-BUPIVACAINEHCL;DTXSID50883961;INS-354;CALCIUM TARTRATE [WHO-DD];GUPPESBEIQALOS-ZVGUSBNCSA-L;CALCIUM L-(+)-TARTRATE (1:1);2,3-Dihydroxybutanedioic acid, calcium salt;E-354;Q416767

Chemical Property of Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1)

Chemical Property:

• PSA: 120.72000
• LogP: -4.79200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 187.9633787
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

98%,99%, ^*data from raw suppliers

Calcium DL-Tartrate Tetrahydrate >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1)

There total 3 articles about Butanedioic acid, 2,3-dihydroxy-(2R,3R)-, calcium salt (1:1) 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: 61.0%

meso-tartaric acid (147-73-9,138508-61-9) → calcium mesotartrate (815-79-2,3164-34-9,5743-33-9,15808-04-5,22438-81-9,52788-72-4,109620-17-9,110720-66-6)

Guidance literature:

With calcium acetate; In water; at 150 ℃; for 48h; Autoclave;

DOI:10.1021/ja905690t

Reference yield:

calcium mesotartrate*H2O → calcium mesotartrate (815-79-2,3164-34-9,5743-33-9,15808-04-5,22438-81-9,52788-72-4,109620-17-9,110720-66-6)

Guidance literature:

In neat (no solvent); byproducts: H2O; loss of 1 mol H2O over 150°C;;

Reference yield:

calcium mesotartrate*3H2O (5892-21-7,22547-87-1,60295-80-9,66018-88-0,66905-75-7,92752-17-5,134841-46-6) → calcium mesotartrate (815-79-2,3164-34-9,5743-33-9,15808-04-5,22438-81-9,52788-72-4,109620-17-9,110720-66-6)

Guidance literature:

In neat (no solvent); byproducts: H2O; complete dehydration at 180-200°C;;

upstream raw materials:

calcium mesotartrate*3H₂O

meso-tartaric acid

Refernces