2,3-Dihydro-1,4-Benzodioxine-2-Carbonyl Chloride

Base Information

• Chemical Name: 2,3-Dihydro-1,4-Benzodioxine-2-Carbonyl Chloride
• CAS No.: 3663-81-8
• Molecular Formula: C9H7ClO3
• Molecular Weight: 198.606
• Hs Code.: 2932999099
• European Community (EC) Number: 672-992-9
• DSSTox Substance ID: DTXSID90957892
• Mol file: 3663-81-8.mol

Synonyms:3663-81-8;2,3-Dihydro-1,4-Benzodioxine-2-Carbonyl Chloride;1,4-benzodioxan-2-carbonyl chloride;2,3-dihydro-1,4-benzodioxine-3-carbonyl chloride;2,3-dihydrobenzo[b][1,4]dioxine-2-carbonyl chloride;1,4-benzodioxane-2-carbonyl chloride;2,3-dihydrobenzo[1,4]dioxine-2-carbonyl chloride;77156-53-7;SCHEMBL567873;1,4-Benzodioxin-2-carbonylchloride, 2,3-dihydro-, (+)-;DTXSID90957892;UPCGTFBXZKCPOT-UHFFFAOYSA-N;MFCD02180342;AKOS009158633;FT-0609632;EN300-172458;1X-0862;2,3-dihydro-1,4-benzodioxin-2-carbonyl chloride;2,3-Dihydro-1,4-benzodioxine-2-carbonyl chlorido;A823321;2,3-dihydro-benzo[1,4]dioxine-2-carbonyl chloride;2,3-dihydrobenzo[b][1,4]dioxine-2-carbonylchloride;J-500013;F2146-0407;(-)-2,3-Dihydro-benzo[b][1,4]dioxin-2-carbonyl chloride;2,3,4a,8a-tetrahydro-1,4-benzodioxine-3-carbonyl chloride;1,4-Benzodioxin-2-carbonyl chloride,2,3-dihydro-,(-)-(9ci);2,3-dihydro-1,4-benzodioxine-2-carbonyl chloride, AldrichCPR;P-NITROPHENYL2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE

Chemical Property of 2,3-Dihydro-1,4-Benzodioxine-2-Carbonyl Chloride

Chemical Property:

• Vapor Pressure: 0.00391mmHg at 25°C
• Melting Point: 56-59 C
• Refractive Index: 1.556
• Boiling Point: 279.9 °C at 760 mmHg
• Flash Point: 123.2 °C
• PSA: 35.53000
• Density: 1.374 g/cm³
• LogP: 1.59180
• XLogP3: 2.4
• 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:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 34-51-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2O1)C(=O)Cl

Technology Process of 2,3-Dihydro-1,4-Benzodioxine-2-Carbonyl Chloride

There total 4 articles about 2,3-Dihydro-1,4-Benzodioxine-2-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: 100.0%

1,4-benzodioxane-2-carboxylic acid (3663-80-7,34385-93-8,70918-53-5,70918-54-6) → 1,4-benzodioxan-2-carbonyl chloride (3663-81-8)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 4h;

Reference yield:

→ 1,4-benzodioxan-2-carbonyl chloride (3663-81-8)

Guidance literature:

With thionyl chloride; benzene;

DOI:10.1021/ja01625a050

Reference yield:

methyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate (3663-79-4,650597-66-3) → 1,4-benzodioxan-2-carbonyl chloride (3663-81-8)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide; water / tetrahydrofuran / 4 h / 20 °C

2: thionyl chloride / 1 h / Reflux

With thionyl chloride; water; lithium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2014.02.031

upstream raw materials:

ethyl 2,3-dihydro-1,4-benzodioxin-2-carboxylate

1,4-benzodioxane-2-carboxylic acid

methyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate

Downstream raw materials:

5-(4-amino-phenyl)-6-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-pyrimidine-2,4-diamine

6-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-5-(4-nitro-phenyl)-pyrimidine-2,4-diamine

N-[(4-hydroxy-2-isopropyl-5-methyl)-phenoxyethyl]-N-methyl-[2-(1,4-benzodioxane)]methylamine

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

Refernces

• 1、 Feng, Yangbo,Pan, Jinpeng,Sun, Yuxing,Yin, Yan,Zhao, Lianhua. "Computer-aided discovery of phenylpyrazole based amides as potent S6K1 inhibitors". . p. 583 - 590. Retrieved 2020/06/04.
• 2、 Parella, Ramarao,Babu, Srinivasarao Arulananda. "Regio- and stereoselective Pd-catalyzed direct arylation of unactivated sp3 C(3)-H bonds of tetrahydrofuran and 1,4-benzodioxane systems". . p. 2339 - 2355. Retrieved 2015/06/01.