Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (alphaS)-

Base Information

• Chemical Name: Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (alphaS)-
• CAS No.: 17879-96-8
• Molecular Formula: C11H12 I3 N O2
• Molecular Weight: 570.93189
• UNII: WLL781TH5X
• Wikidata: Q27292707
• Mol file: 17879-96-8.mol

Synonyms:Iopanoic acid, (+)-;Iopanoic acid D-form [MI];17879-96-8;UNII-WLL781TH5X;WLL781TH5X;Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (alphaS)-;(+)-iopanoic acid;3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid, (+)-;(2S)-2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid;iopanic-acid;IOPANOIC ACID, (S)-;PD132643;Q27292707;3-AMINO-.ALPHA.-ETHYL-2,4,6-TRIIODOHYDROCINNAMIC ACID, (+)-;BENZENEPROPANOIC ACID, 3-AMINO-.ALPHA.-ETHYL-2,4,6-TRIIODO-, (S)-;HYDROCINNAMIC ACID, 3-AMINO-.ALPHA.-ETHYL-2,4,6-TRIIODO-, (+)-;BENZENEPROPANOIC ACID, 3-AMINO-.ALPHA.-ETHYL-2,4,6-TRIIODO-, (.ALPHA.S)-

Chemical Property of Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (alphaS)-

Chemical Property:

• Melting Point: 162°
• PSA: 63.32000
• LogP: 4.31710
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 570.8002
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O
• Isomeric SMILES: CC[C@@H](CC1=C(C(=C(C=C1I)I)N)I)C(=O)O

Technology Process of Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (alphaS)-

There total 1 articles about Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (alphaS)- 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:

(S)-2-(3-Amino-benzyl)-butyric acid (138809-55-9) → (S)-(+)-iopanoic acid (17879-96-8) + (R)-(-)-iopanoic acid (17879-97-9)

Guidance literature:

With hydrogenchloride; Iodine monochloride; at 70 ℃; for 1h; Title compound not separated from byproducts;

DOI:10.1016/S0957-4166(00)86152-2

Reference yield: 93.0%

(S)-(+)-iopanoic acid (17879-96-8) + 1-palmitoyl-3-O-trityl-sn-glycerol → 1-palmitoyl-2(S)-iaponoyl-3-O-trityl-sn-glycerol

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00123a024

Reference yield: 86.0%

(S)-(+)-iopanoic acid (17879-96-8) + 1-O-trityl-3-palmitoyl-sn-glycerol → 1-O-trityl-2(S)-iopanoyl-3-palmitoyl-sn-glycerol

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; Ambient temperature;

DOI:10.1021/jm00123a024

upstream raw materials:

(S)-2-(3-Amino-benzyl)-butyric acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 17879-96-8 (+)-Iopanoic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send