2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride

Base Information

• Chemical Name: 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride
• CAS No.: 38871-41-9
• Molecular Formula: C₉H₇ClO₃
• Molecular Weight: 198.606
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID40383526
• Wikidata: Q72445393
• Mol file: 38871-41-9.mol

Synonyms:38871-41-9;2,3-dihydro-1,4-benzodioxine-5-carbonyl chloride;2,3-Dihydrobenzo[b][1,4]dioxine-5-carbonyl chloride;2,3-Dihydrobenzo[1,4]dioxine-5-carbonyl chloride;2,3-Dihydro-benzo[1,4]dioxine-5-carbonyl chloride;SCHEMBL1020885;DTXSID40383526;IEWVBBWTJOHHCY-UHFFFAOYSA-N;MFCD04972616;1,4-benzodioxane-5-carbonyl chloride;AKOS009808784;AB92833;AM100751;CS-10266;FT-0685472;A873758;J-507004;2,3-Dihydrobenzo[b][1,4]dioxine-5-carbonylchloride

Chemical Property of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.000835mmHg at 25°C
• Melting Point: 98 °C
• Density: 1.371
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 198.0083718
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dihydro-1,4-benzodioxine-5-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1COC2=C(C=CC=C2O1)C(=O)Cl

Technology Process of 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride

There total 4 articles about 2,3-Dihydro-1,4-benzodioxine-5-carbonyl chloride 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:

2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (4442-53-9) → 2,3-dihydrobenzo-[b]-1,4-dioxine-5-carbonyl chloride (38871-41-9)

Guidance literature:

With thionyl chloride;

DOI:10.1021/jo01162a005

Reference yield:

2,3-Dihydroxybenzoic acid (303-38-8) → 2,3-dihydrobenzo-[b]-1,4-dioxine-5-carbonyl chloride (38871-41-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq.-ethanolic KOH-solution / unter Ausschluss von Sauerstoff

2: thionyl chloride

With potassium hydroxide; thionyl chloride;

DOI:10.1021/jo01162a005

Reference yield:

2,3-dihydro-benzo[1,4]dioxine-5-carboxylic acid methyl ester (214894-91-4) → 2,3-dihydrobenzo-[b]-1,4-dioxine-5-carbonyl chloride (38871-41-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water / 3 h / Reflux

2: thionyl chloride / 2 h / Reflux

With thionyl chloride; sodium hydroxide; In water;

DOI:10.1021/jf104196t

upstream raw materials:

2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

2,3-Dihydroxybenzoic acid

2,3-dihydro-benzo[1,4]dioxine-5-carboxylic acid methyl ester

methyl-2,3-dihydroxybenzoate

Downstream raw materials:

2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide

2,3-dihydrobenzo[1,4]-dioxine-5-carboxylic acid {1-[3-(4-methylpiperazine-1-sulfonyl)propyl]piperidin-4-ylmethyl}amide

2,3-dihydro-benzo[1,4]dioxin-5-carbonitrile

N-(1-ethyl-2-pyrrolidylmethyl)-1,4-benzodioxane-5-carboxamide hydrochloride