(s)-1-Aminoethylphosphonic acid

Base Information

• Chemical Name: (s)-1-Aminoethylphosphonic acid
• CAS No.: 66068-76-6
• Molecular Formula: C2H8NO3P
• Molecular Weight: 125.064
• Hs Code.: 2931900090
• European Community (EC) Number: 623-468-3
• UNII: YV7Y1B14AP
• DSSTox Substance ID: DTXSID001299163
• Nikkaji Number: J282.316K
• Wikidata: Q27294731
• ChEMBL ID: CHEMBL57466
• Mol file: 66068-76-6.mol

Synonyms:66068-76-6;(S)-(+)-1-Aminoethylphosphonic acid;(s)-1-aminoethylphosphonic acid;(S)-(1-Aminoethyl)phosphonic acid;[(1S)-1-aminoethyl]phosphonic acid;1-Aminoethylphosphonic acid, (S)-;UNII-YV7Y1B14AP;YV7Y1B14AP;(S)-(+)-(1-aminoethyl)phosphonic acid;Phosphonic acid, (1-aminoethyl)-, (S)-;D-Ala(P);(S)-1-aminoethanephosphonic acid;CHEMBL57466;SCHEMBL6662622;(S)-(-)-1-Phosphonoethylamine;(s)-1-aminoethyl phosphonic acid;CHEBI:136675;(S)-(1-Aminoethyl)phosphonicacid;DTXSID001299163;((S)-1-Aminoethyl)phosphonic acid;MFCD00066503;AKOS025295605;J282.316K;(S)-(+)-1-Aminoethylphosphonic acid, 99%;PHOSPHONIC ACID, ((1S)-1-AMINOETHYL)-;PHOSPHONIC ACID, P-((1S)-1-AMINOETHYL)-;J-100032;Q27294731

Chemical Property of (s)-1-Aminoethylphosphonic acid

Chemical Property:

• Vapor Pressure: 7.2E-05mmHg at 25°C
• Melting Point: 290 °C (dec.)(lit.)
• Refractive Index: 1.495
• Boiling Point: 319.2 °C at 760 mmHg
• Flash Point: 146.9 °C
• PSA: 93.36000
• Density: 1.475 g/cm³
• LogP: 0.16910
• XLogP3: -4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 125.02418011
• Heavy Atom Count: 7
• Complexity: 97.1

Purity/Quality:

98%min ^*data from raw suppliers

(S)-(+)-1-Aminoethylphosphonic acid 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(N)P(=O)(O)O
• Isomeric SMILES: C[C@@H](N)P(=O)(O)O

Technology Process of (s)-1-Aminoethylphosphonic acid

There total 6 articles about (s)-1-Aminoethylphosphonic acid 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: 82.0%

(L,D)-1-(N-phenylacetylamino)ethylphosphonic acid (81069-92-3) → (L)-1-aminoethylphosphonic acid (6323-97-3,16606-65-8,60687-36-7,66068-76-6)

Guidance literature:

With phosphate buffer; Ambient temperature; immobilized penicillinacylase, pH 7.0;

Reference yield: 80.0%

(D)-1-(N-phenylacetylamino)ethylphosphonic acid (79879-28-0,81069-92-3,130325-36-9,130325-37-0) → (D)-1-aminoethylphosphonic acid (6323-97-3,16606-65-8,60687-36-7,66068-76-6)

Guidance literature:

With hydrogenchloride; acetic acid; for 8h; Heating;

DOI:10.1016/S0040-4020(01)86439-5

Reference yield: 78.0%

(L,D)-1-(N-phenylacetylamino)ethylphosphonic acid (81069-92-3) → (L)-1-aminoethylphosphonic acid (6323-97-3,16606-65-8,60687-36-7,66068-76-6) + (D)-1-(N-phenylacetylamino)ethylphosphonic acid (79879-28-0,81069-92-3,130325-36-9,130325-37-0)

Guidance literature:

With potassium hydroxide; phosphate buffer; In water; for 2h; Ambient temperature; penicillin acylase (EC 3.5.1.11), pH 6.8-7.0;

DOI:10.1016/S0040-4020(01)86439-5

upstream raw materials:

1-aminoethanephosphonic acid

(D)-1-(N-phenylacetylamino)ethylphosphonic acid

(L,D)-1-(N-phenylacetylamino)ethylphosphonic acid

(-)-1-aminoethylphosphonous acid

Downstream raw materials:

[(S)-1-((R)-2-Benzyloxycarbonylamino-propionylamino)-ethyl]-phosphonic acid

[(S)-1-((S)-2-Benzyloxycarbonylamino-propionylamino)-ethyl]-phosphonic acid

(S)-<1-(benzyloxycarbonylamino)ethyl>phosphonic acid

Refernces

• 1、 Solodenko, V. A.,Kasheva, T. N.,Mironenko, D. A.,Kozlova, E. V.,Shvyadas, V. K.,Kukhar, V. P.. "SYNTHESIS OF DERIVATIVES OF 1-AMINOETHYLPHOSPHONIC AND 1-AMINOETHYLPHOSPHINIC ACIDS AS SUBSTRATES FOR PENICILLINACYLASES". . p. 1209 - 1215. Retrieved 2007/10/02.
• 2、 Seebach, Dieter,Charczuk, Roland,Gerber, Christian,Renaud, Philippe,Berner, Heinz,Schneider, Helmut. "Electrochemical Decarboxylation of L-Threonine and Oligopeptide Derivatives with Formation of N-Acyl-N,O-acetals: Preparation of Oligopeptides with Amide or Phosphonate C-Terminus". . p. 401 - 425. Retrieved 2007/10/02.