2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid
• CAS No.: 100610-68-2
• Molecular Formula: C₁₃H₁₇NO₄S
• Molecular Weight: 283.348
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20377569
• ChEMBL ID: CHEMBL1507484
• Mol file: 100610-68-2.mol

Synonyms:100610-68-2;2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid;2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoic acid;2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoic acid;4-Thiomorpholineacetic acid, alpha-(phenylmethyl)-, 1,1-dioxide;MLS000755343;CHEMBL1507484;DTXSID20377569;HMS2634I04;HMS3360L09;MFCD02186946;AKOS005069234;SMR000338209;FT-0679947;10P-208;A910837;2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoicacid;J-505284;2-(1,1-Dioxo-,4-thiazinan-4-yl)-3-phenylpropanoic acid;4-Thiomorpholineacetic acid, -(phenylmethyl)-, 1,1-dioxide;2-(1,1-Dioxo-1lambda6,4-thiazinan-4-yl)-3-phenylpropanoic acid;2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-phenylpropanoic acid;2-(1,1-DIOXO-1LAMBDA6,4-THIAZINAN-4-YL)-3-PHENYLPROPANOICACID

Chemical Property of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 3.22E-11mmHg at 25°C
• Melting Point: 119-121°C
• Refractive Index: 1.59
• Boiling Point: 509.9°Cat760mmHg
• Flash Point: 262.2°C
• PSA: 83.06000
• Density: 1.339g/cm³
• LogP: 1.43140
• Storage Temp.: 2-8°C
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 283.08782920
• Heavy Atom Count: 19
• Complexity: 395

Purity/Quality:

98%min ^*data from raw suppliers

2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CCN1C(CC2=CC=CC=C2)C(=O)O

Technology Process of 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid

There total 3 articles about 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic 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:

bis(2-chloroethyl)sulfone (471-03-4) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → 2-(1,1-dioxo-1λ6-thiomorpholino)-3-phenyl-propionic acid (100610-68-2)

Guidance literature:

With sodium carbonate;

Reference yield:

bis(2-chloroethyl)sulfone (471-03-4) + L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → (S)-2-(1,1-dioxo-1λ6-thiomorpholino)-3-phenyl-propionic acid (100610-68-2)

Guidance literature:

With sodium carbonate;

DOI:10.1039/jr9490002433

Reference yield:

Divinyl sulfone (77-77-0) + L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → (S)-2-(1,1-dioxo-1λ6-thiomorpholino)-3-phenyl-propionic acid (100610-68-2)

Guidance literature:

With water;

DOI:10.1039/jr9490002433

upstream raw materials:

Divinyl sulfone

L-phenylalanine

bis(2-chloroethyl)sulfone

Phenylalanine

Refernces