Cinamiodyl

Base Information

• Chemical Name: Cinamiodyl
• CAS No.: 1215-70-9
• Molecular Formula: C₁₁H₁₀I₃NO₂
• Molecular Weight: 568.919
• Hs Code.: 2922499990
• UNII: D75J394ETV
• DSSTox Substance ID: DTXSID601017088
• Nikkaji Number: J7.459D
• Wikidata: Q27276200
• Mol file: 1215-70-9.mol

Synonyms:Cinamiodyl;Cinamiodil;1215-70-9;BRN 2863651;UNII-D75J394ETV;D75J394ETV;3-Amino-alpha-ethyl-2,4,6-triiodocinnamic acid;alpha-Etylo-(2,4,6-trojjodo-3-amino)cynamonowym [Polish];Butanoic acid, 2-((3-amino-2,4,6-triiodophenyl)methylene)-;alpha-Aethyl-beta-(2,4,6-trijod-3-aminophenyl)acrylsaeure [German];alpha-Etylo-(2,4,6-trojjodo-3-amino)cynamonowym;4-14-00-01792 (Beilstein Handbook Reference);Cinnamic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-;Cinnamic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo-;alpha-Aethyl-beta-(2,4,6-trijod-3-aminophenyl)acrylsaeure;Butanoic acid, 2-((3-amino-2,4,6-triiodophenyl)methylene)- (9CI);Butanoic acid, 2-[(3-amino-2,4,6-triiodophenyl)methylene]-;(2E)-2-[(3-amino-2,4,6-triiodophenyl)methylidene]butanoic acid;SCHEMBL1995076;IOPANOIC ACID, DEHYDRO-;C11H10I3NO2;DTXSID601017088;C11-H10-I3-N-O2;AKOS040751188;AG 34-55;LS-54033;Q27276200;2-[(3-Amino-2,4,6-triiodophenyl)methylene]butanoic acid;3-AMINO-.ALPHA.-ETHYL-2,4,6-TRIIODOCINNAMIC ACID;1081841-49-7

Chemical Property of Cinamiodyl

Chemical Property:

• Vapor Pressure: 6.18E-13mmHg at 25°C
• Boiling Point: 550.1°Cat760mmHg
• Flash Point: 286.5°C
• PSA: 63.32000
• Density: 2.513g/cm³
• LogP: 4.54180
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 568.7846
• Heavy Atom Count: 17
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

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(=C\C1=C(C(=C(C=C1I)I)N)I)/C(=O)O

Technology Process of Cinamiodyl

There total 6 articles about Cinamiodyl 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:

3-nitro-benzaldehyde (99-61-6) → 2-(3-Amino-2,4,6-triiod-benzyliden)-buttersaeure (1215-70-9)

Guidance literature:

Multi-step reaction with 3 steps

1: (nPrCO)2O

2: H₂ / Raney-Ni / methanol

3: ICl, aq. HCl

With hydrogenchloride; butanoic acid anhydride; hydrogen; Iodine monochloride; nickel; In methanol;

Reference yield:

2-(3-Nitro-benzyliden)-buttersaeure (5253-02-1) → 2-(3-Amino-2,4,6-triiod-benzyliden)-buttersaeure (1215-70-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney-Ni / methanol

2: ICl, aq. HCl

With hydrogenchloride; hydrogen; Iodine monochloride; nickel; In methanol;

Reference yield:

→ β-(3-Amino-2.4.6-triiodphenyl)-α-ethylacrylsaeure (1215-70-9)

Guidance literature:

With hydrogenchloride; Iodine monochloride;

upstream raw materials:

2-[(3-aminophenyl)methylene]butyric acid

2-(3-Nitro-benzyliden)-buttersaeure

3-nitro-benzaldehyde

Downstream raw materials:

bunaiod