1,3-Benzenedicarbonyl dichloride, 5-methoxy-

Base Information

• Chemical Name: 1,3-Benzenedicarbonyl dichloride, 5-methoxy-
• CAS No.: 35227-77-1
• Molecular Formula: C9H6Cl2O3
• Molecular Weight: 233.051
• DSSTox Substance ID: DTXSID00447299
• Nikkaji Number: J678.400C
• Mol file: 35227-77-1.mol

Synonyms:35227-77-1;1,3-Benzenedicarbonyl dichloride, 5-methoxy-;SCHEMBL3361585;5-Methoxyisophthaloyl dichloride;DTXSID00447299

Chemical Property of 1,3-Benzenedicarbonyl dichloride, 5-methoxy-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 231.9693994
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Benzenedicarbonyl dichloride, 5-methoxy-

There total 6 articles about 1,3-Benzenedicarbonyl dichloride, 5-methoxy- 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: 43.0%

5-methoxyisophthalic acid (46331-50-4) → 4-methoxy-1,3-benzenedicarbonyl dichloride (35227-77-1)

Guidance literature:

With thionyl chloride; triphenylphosphine; for 3h; Heating;

DOI:10.1002/chem.200400772

Reference yield:

dimethyl 5-methoxyisophthalate (20319-44-2) → 4-methoxy-1,3-benzenedicarbonyl dichloride (35227-77-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / aq. NaOH / 70 °C

2: 43 percent / thionyl chloride; PPh₃ / 3 h / Heating

With sodium hydroxide; thionyl chloride; triphenylphosphine;

DOI:10.1002/chem.200400772

Reference yield:

5-Hydroxyisophthalic acid (618-83-7) → 4-methoxy-1,3-benzenedicarbonyl dichloride (35227-77-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 78 percent / H₂SO₄

2: 84 percent / K₂CO₃ / acetone

3: 68 percent / aq. LiOH / tetrahydrofuran

4: oxalyl chloride / CH₂Cl₂

With lithium hydroxide; oxalyl dichloride; sulfuric acid; potassium carbonate; In tetrahydrofuran; dichloromethane; acetone;

DOI:10.1016/S0960-894X(98)00631-3

upstream raw materials:

5-methoxyisophthalic acid

Dimethyl 5-hydroxyisophthalate

dimethyl 5-methoxyisophthalate

5-Hydroxyisophthalic acid

Downstream raw materials:

5-methoxy-N,N'-dipropyl-isophthalamide

3,5-bis(4-fluorobenzoyl)anisole

3,5-bis(benzylcarbamoyl)phenol

3,5-bis(4-methoxybenzoyl)anisole