2-Amino-2-phosphonocyclohexanecarboxylic acid

Base Information

• Chemical Name: 2-Amino-2-phosphonocyclohexanecarboxylic acid
• CAS No.: 102402-46-0
• Molecular Formula: C7H14 N O5 P
• Molecular Weight: 223.166
• DSSTox Substance ID: DTXSID50907479
• Nikkaji Number: J478.111B
• Mol file: 102402-46-0.mol

Synonyms:102402-46-0;2-Amino-2-phosphonocyclohexanecarboxylic acid;2-amino-2-phosphonocyclohexane-1-carboxylic acid;Cyclohexanecarboxylic acid, 2-amino-2-phosphono-;2-AMINO-2-PHOSPHONO-CYCLOHEXANE-1-CARBOXYLIC ACID;DTXSID50907479;LS-56616

Chemical Property of 2-Amino-2-phosphonocyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 2.28E-11mmHg at 25°C
• Boiling Point: 500.3°Cat760mmHg
• Flash Point: 256.4°C
• PSA: 130.66000
• Density: 1.52g/cm³
• LogP: 0.79420
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 223.06095954
• Heavy Atom Count: 14
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)C(=O)O)(N)P(=O)(O)O

Technology Process of 2-Amino-2-phosphonocyclohexanecarboxylic acid

There total 2 articles about 2-Amino-2-phosphonocyclohexanecarboxylic 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: 32.0%

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 2-amino-2-phosphonocyclohexanecarboxylic acid (102402-46-0) + ethyl 2-amino-2-phosphonocyclohexanecarboxylate

Guidance literature:

ethyl 2-oxocyclohexane carboxylate; With acetamide; acetic acid; acetyl chloride; at 20 ℃; Cooling with ice;

With phosphorus trichloride; at 75 ℃; Cooling with ice;

With hydrogenchloride; In water; for 8h; Reflux;

DOI:10.1080/10426507.2014.905573

Reference yield: 30.0%

acetamide (60-35-5) + ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 1-hydroxyethylene-(1,1-diphosphonic acid) (2809-21-4) + 2-amino-2-phosphonocyclohexanecarboxylic acid (102402-46-0) + ammonium 1-aminoethane-1,1-diphosphonate (124589-58-8) + α-amino cyclohexylphosphonic acid (67398-11-2)

Guidance literature:

acetamide; With acetyl chloride; In acetic acid; for 0.25h; Cooling with ice;

ethyl 2-oxocyclohexane carboxylate; In acetic acid; at 20 ℃; Further stages; Cooling with ice;

DOI:10.1080/10426500902737356

upstream raw materials:

acetamide

ethyl 2-oxocyclohexane carboxylate