Phosphonic acid, [1-amino-3-(methylthio)propyl]-

Base Information

• Chemical Name: Phosphonic acid, [1-amino-3-(methylthio)propyl]-
• CAS No.: 30411-90-6
• Molecular Formula: C4H12NO3PS
• Molecular Weight: 185.18200
• DSSTox Substance ID: DTXSID40409098
• Nikkaji Number: J1.072.409K
• Mol file: 30411-90-6.mol

Synonyms:30411-90-6;Phosphonic acid, [1-amino-3-(methylthio)propyl]-;Met-P (1);SCHEMBL1158104;DTXSID40409098;BDBM234294

Chemical Property of Phosphonic acid, [1-amino-3-(methylthio)propyl]-

Chemical Property:

• Vapor Pressure: 3.11E-07mmHg at 25°C
• Boiling Point: 391.9oC at 760 mmHg
• PKA: 0.71±0.10(Predicted)
• Flash Point: 190.8oC
• PSA: 118.66000
• Density: 1.405g/cm3
• LogP: 0.90230
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 185.02755142
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSCCC(N)P(=O)(O)O

Technology Process of Phosphonic acid, [1-amino-3-(methylthio)propyl]-

There total 6 articles about Phosphonic acid, [1-amino-3-(methylthio)propyl]- 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: 95.0%

(1-Amino-3-methylsulfanyl-propyl)-phosphonic acid diethyl ester → (RS)-<1-amino-3-(methylthio)propyl>phosphonic acid (30411-90-6)

Guidance literature:

With hydrogenchloride; at 98 ℃; for 16h;

DOI:10.1021/ja00149a011

Reference yield: 95.0%

diphenyl 1-(3-phenylthioureido)methylthiopropylphosphonate (77275-27-5) → (RS)-<1-amino-3-(methylthio)propyl>phosphonic acid (30411-90-6)

Guidance literature:

With hydrogenchloride; In acetic acid; for 7h; Heating;

DOI:10.1055/s-1982-29740

Reference yield:

C10H23NO3PS(1-)*C8H18Al(1+) → (RS)-<1-amino-3-(methylthio)propyl>phosphonic acid (30411-90-6)

Guidance literature:

C₁₀H₂₃NO₃PS^(1-)*C₈H₁₈Al⁽¹⁺⁾; With hydrogenchloride; In water; toluene; for 4h; Reflux; Inert atmosphere;

In water; Inert atmosphere;

DOI:10.1080/10426507.2017.1284844

upstream raw materials:

3-(methylsulfenyl)propanal

phosphonic acid diethyl ester

diphenyl 1-(3-phenylthioureido)methylthiopropylphosphonate

triphenyl phosphite

Downstream raw materials:

[(RS)-1-amino-3-(benzylsulfanyl)propyl]phosphonic acid

1-Amino-3-p-nitrobenzylthiopropanephosphonic acid

Phosphomethionine sulfoxide