1,3-Benzenedicarbonyl dichloride, 5-(acetyloxy)-

Base Information

• Chemical Name: 1,3-Benzenedicarbonyl dichloride, 5-(acetyloxy)-
• CAS No.: 137374-13-1
• Molecular Formula: C10H6Cl2O4
• Molecular Weight: 261.061
• DSSTox Substance ID: DTXSID00441156
• Nikkaji Number: J2.864.288A

Synonyms:137374-13-1;1,3-Benzenedicarbonyl dichloride, 5-(acetyloxy)-;SCHEMBL195019;5-acetoxy isophthaloyl chloride;5-acetyloxyisophthaloyl dichloride;DTXSID00441156;XTEUILVYNKREOP-UHFFFAOYSA-N;Acetic acid 3,5-bis(chloroformyl)phenyl ester

Chemical Property of 1,3-Benzenedicarbonyl dichloride, 5-(acetyloxy)-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 259.9643141
• Heavy Atom Count: 16
• Complexity: 294

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl

Technology Process of 1,3-Benzenedicarbonyl dichloride, 5-(acetyloxy)-

There total 3 articles about 1,3-Benzenedicarbonyl dichloride, 5-(acetyloxy)- 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:

5-acetoxyisophthalic acid (90466-78-7) → 5-acetoxyisophthaloyl acid dichloride (137374-13-1)

Guidance literature:

With thionyl chloride; In toluene; for 7h; Heating;

DOI:10.1021/jo991042c

Reference yield:

5-Hydroxyisophthalic acid (618-83-7) → 5-acetoxyisophthaloyl acid dichloride (137374-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 6 h / Heating

2: SOCl₂ / toluene / 7 h / Heating

With thionyl chloride; In toluene; 1: Acetylation / 2: Substitution;

DOI:10.1021/jo991042c

Reference yield:

→ 5-acetoxyisophthaloyl acid dichloride (137374-13-1)

Guidance literature:

5-Acetoxy-isophthalsaeure, Thionylchlorid;

upstream raw materials:

5-acetoxyisophthalic acid

5-Hydroxyisophthalic acid

Downstream raw materials:

5-acetoxy-1,3-bis[N,N-bis(2-methoxyethyl)]benzenedicarboxamide

5-hydroxy-1,3-bis[N,N-bis(2-methoxyethyl)]benzenedicarboxamide

(3-[3-(3,5-bis-{[bis-(2-methoxy-ethyl)-amino]-methyl}-phenoxymethyl)-5-methylaminomethyl-benzyloxy]-5-{[bis-(2-methoxy-ethyl)-amino]-methyl}-benzyl)-bis-(2-methoxy-ethyl)-amine

3,5-bis-{3,5-bis-[bis-(2-methoxy-ethyl)-carbamoyl]-phenoxymethyl}-benzoic acid methyl ester

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