Alitame anhydrous

Base Information

• Chemical Name: Alitame anhydrous
• CAS No.: 80863-62-3
• Molecular Formula: C14H25N3O4S
• Molecular Weight: 331.436
• Hs Code.: 29400090
• ChEMBL ID: CHEMBL313521
• DSSTox Substance ID: DTXSID00861032
• NCI Thesaurus Code: C77135
• Mol file: 80863-62-3.mol

Synonyms:Alitame anhydrous;3-amino-4-oxo-4-[[1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid;CP54802;CP 54802;SCHEMBL4591;CHEMBL313521;DTXSID00861032;AKOS032947535;LS-14350;A847394;L-a-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide, 9CI;3-Amino-3-({1-[(2,2,4,4-tetramethylthietan-3- yl)carbamoyl]ethyl}carbamoyl)propanoic acid;3-amino-3-({1-[(2,2,4,4-tetramethylthietan-3-yl)carbamoyl]ethyl}carbamoyl)propanoic acid;(3s)-3-amino-4-oxo-4-[[(2r)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid;L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide;(3S)-3-Amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoicacid

Chemical Property of Alitame anhydrous

Chemical Property:

• Vapor Pressure: 2.25E-16mmHg at 25°C
• Melting Point: 136-147°
• Refractive Index: 1.559
• Boiling Point: 608.5oC at 760 mmHg
• PKA: 3.71±0.10(Predicted)
• Flash Point: 321.8oC
• PSA: 146.82000
• Density: 1.25g/cm3
• LogP: 1.56400
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 331.15657746
• Heavy Atom Count: 22
• Complexity: 465

Purity/Quality:

99% ^*data from raw suppliers

Alitame ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N
• Physical properties: Alitame [L-a-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide] is a sweetener based on an amino acid. It is a very intense sweetener, possessing a sweetening power of about 2000 times that of sucrose. It also exhibits a clean sweet taste similar to sucrose. Although it is metabolized, so little is needed that its caloric contribution is insignificant. Alitame is prepared from the amino acids, L-aspartic acid, D-alamine, and a novel amine.
• Uses: Alitame [L-a-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide] is a sweetener based on an amino acid. It is a very intense sweetener, possessing a sweetening power of about 2000 times that of sucrose. It also exhibits a clean sweet taste similar to sucrose. Although it is metabolized, so little is needed that its caloric contribution is insignificant. Alitame is prepared from the amino acids, L-aspartic acid, D-alamine, and a novel amine. Alitame is a dipeptide amide derivative of aspartic acid used as an artificial sweetener. Alitame is about ten times sweeter than Aspartame (A790015) with a half life about twice as long.

Technology Process of Alitame anhydrous

There total 1 articles about Alitame anhydrous 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:

→ 3-(L-Aspartyl-D-alaninamido)-2,2,4,4-tetramethylthietane (80863-62-3)

Guidance literature:

Reference yield:

3-(L-Aspartyl-D-alaninamido)-2,2,4,4-tetramethylthietane (80863-62-3) + toluene-4-sulfonic acid (104-15-4) → 3-L-α-aspartyl-D-alanylamido-2,2,4,4-tetramethylthietanylamine p-toluenesulfonate

Guidance literature:

3-(L-Aspartyl-D-alaninamido)-2,2,4,4-tetramethylthietane; With hydrogenchloride; In water; for 18h; pH=3.0;

toluene-4-sulfonic acid; In water; Product distribution / selectivity;

Refernces