DL-Aspartic acid-4-13C

Base Information

• Chemical Name: DL-Aspartic acid-4-13C
• CAS No.: 68315-35-5
• Molecular Formula: CD3CD2CH2CH(NH2)COOH
• Molecular Weight: 183.27
• DSSTox Substance ID: DTXSID90487205
• Nikkaji Number: J1.346.816H
• Mol file: 68315-35-5.mol

Synonyms:DL-Aspartic acid-4-13C;68315-35-5;2-amino(413C)butanedioic acid;DL-Aspartic acid-13C1;Dl-aspartic acid(4-13c);DTXSID90487205;HY-W015824S3;CS-0226381;DL-Aspartic acid-4-13C, 99 atom % 13C;J-013137

Chemical Property of DL-Aspartic acid-4-13C

Chemical Property:

• Melting Point: >300oC (dec.)(lit.)
• PSA: 100.62000
• LogP: -0.42670
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 134.04086254
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

DL-Aspartic-13CAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)N)C(=O)O
• Isomeric SMILES: C(C(C(=O)O)N)[13C](=O)O

Technology Process of DL-Aspartic acid-4-13C

There total 3 articles about DL-Aspartic acid-4-13C 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:

[13C]methanol (14742-26-8) → U-(13)C-L-aspartic acid (55443-54-4,81201-98-1,68315-35-5) + 1,2-13C2-glycine (67836-01-5) + (13)C3H8N2O2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H7NO4 (1202063-43-1,55443-54-4,81201-98-1,68315-35-5) + (13)C5H7NO3 (55443-56-6) + (13)C5H7NO3 + (13)C4H10N2O2 + (13)C4H10N2O2 + (13)C4H10N2O2 (1391068-14-6) + (13)C4H10N2O2 + (13)C4H8N2O3 + (13)C5H9NO2 (81202-06-4) + (13)C5H11NO2 + (13)C3H7NO2 + (13)C5H11NO2 + (13)C5H9NO3 + (13)C5H11NO2 + (13)C4H9NO2 + (13)C3H7NO2 + (13)C3H8N2O2 + (13)C3H8N2O2 + (13)C3H8N2O2 + (13)C3H7NO2 (286460-72-8,65163-26-0,70753-82-1) + alanine 13C315N (100108-77-8,65163-26-0,70753-82-1)

Guidance literature:

[¹³C]methanol; With ammonia; water; at -193.16 ℃; for 240h; under 7.50075E-08 Torr; Microwave irradiation;

With hydrogenchloride; water; at 110 ℃; for 24h;

DOI:10.1002/cplu.201100048

Reference yield:

[13C]methanol (14742-26-8) → U-(13)C-L-aspartic acid (55443-54-4,81201-98-1,68315-35-5) + 1,2-13C2-glycine (67836-01-5) + (13)C3H8N2O2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H7NO4 (1202063-43-1,55443-54-4,81201-98-1,68315-35-5) + (13)C5H7NO3 (55443-56-6) + (13)C5H7NO3 + (13)C4H10N2O2 + (13)C4H10N2O2 + (13)C4H10N2O2 (1391068-14-6) + (13)C4H10N2O2 + (13)C4H8N2O3 + (13)C5H9NO2 (81202-06-4) + (13)C5H11NO2 + (13)C3H7NO2 + (13)C5H11NO2 + (13)C5H9NO3 + (13)C5H11NO2 + (13)C4H9NO2 + (13)C3H7NO2 + (13)C3H8N2O2 + (13)C3H8N2O2 + (13)C3H8N2O2 + (13)C3H7NO2 (286460-72-8,65163-26-0,70753-82-1) + alanine 13C315N (100108-77-8,65163-26-0,70753-82-1)

Guidance literature:

[¹³C]methanol; With ammonia; water; at -193.16 ℃; for 240h; under 7.50075E-08 Torr; Microwave irradiation;

With hydrogenchloride; water; at 110 ℃; for 24h;

DOI:10.1002/cplu.201100048

Reference yield:

(S)-3-(tert-butoxycarbonylamino)-oxetan-2-one (98541-64-1) + potassium [13C]cyanide → (4-13C)aspartic acid (81201-98-1,68315-35-5)

Guidance literature:

(S)-3-(tert-butoxycarbonylamino)-oxetan-2-one; potassium [13C]cyanide; With dimethyl azodicarboxylate; In dimethyl sulfoxide;

With hydrogenchloride; Reflux;

DOI:10.1002/chem.201801029

upstream raw materials:

(S)-3-(tert-butoxycarbonylamino)-oxetan-2-one

[¹³C]methanol

Refernces

• 1、 Meinert, Cornelia,Filippi, Jean-Jacques,De Marcellus, Pierre,Le Sergeant D'Hendecourt, Louis,Meierhenrich, Uwe J.. "N-(2-aminoethyl)glycine and amino acids from interstellar ice analogues". . p. 186 - 191. Retrieved 2013/01/13.