Methyl(2-iodo-4,5-dimethoxyphenyl)acetate

Base Information

• Chemical Name: Methyl(2-iodo-4,5-dimethoxyphenyl)acetate
• CAS No.: 35345-49-4
• Molecular Formula: C11H13IO4
• Molecular Weight: 336.126
• NSC Number: 140930
• DSSTox Substance ID: DTXSID60301085
• Nikkaji Number: J1.221.659I
• Wikidata: Q82044647
• Mol file: 35345-49-4.mol

Synonyms:35345-49-4;methyl(2-iodo-4,5-dimethoxyphenyl)acetate;methyl 2-(2-iodo-4,5-dimethoxyphenyl)acetate;NSC140930;DTXSID60301085;AKOS004117377;NSC-140930;EN300-732941

Chemical Property of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate

Chemical Property:

• Vapor Pressure: 1.76E-05mmHg at 25°C
• Boiling Point: 363.8°Cat760mmHg
• Flash Point: 173.8°C
• Density: 1.583g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 335.98586
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)CC(=O)OC)I)OC

Technology Process of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate

There total 3 articles about Methyl(2-iodo-4,5-dimethoxyphenyl)acetate 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: 99.0%

methanol (67-56-1) + (2-iodo-4,5-dimethoxyphenyl)acetic acid (35323-09-2) → 2-iodo-4,5-dimethoxyphenylacetic acid methyl ester (35345-49-4)

Guidance literature:

With Amberlyst; Inert atmosphere;

DOI:10.1021/jm200334c

Reference yield:

(3,4-Dimethoxyphenyl)acetic acid (93-40-3) → 2-iodo-4,5-dimethoxyphenylacetic acid methyl ester (35345-49-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / ICl / CH₂Cl₂; acetic acid

2: 92 percent / SOCl₂ / 20 °C

With thionyl chloride; Iodine monochloride; In dichloromethane; acetic acid; 1: Iodination / 2: Esterification;

DOI:10.1055/s-1999-3638

Reference yield:

→ 2-iodo-4,5-dimethoxyphenylacetic acid methyl ester (35345-49-4)

Guidance literature:

Acetat 3c, Ag-Trifluoroacetat, Iod;

upstream raw materials:

methanol

(2-iodo-4,5-dimethoxyphenyl)acetic acid

(3,4-Dimethoxyphenyl)acetic acid

Downstream raw materials:

C₁₂H₁₃NO₄

3<2-(methoxycarbonylmethyl)-4,5-dimethoxyphenyl>1,6,7-trimethoxy-isoquinoline

3-<2-(methoxycarbonyl-methyl)-4,5-dimethoxyphenyl>-6,7-dimethoxy-1(2H)-isoquinolone

2-(2-iodo-4,5-dimethoxyphenyl)ethanol